C22H33NO
APtclcactv09241716232D 0   0.00000     0.00000
 
 57 58  0  0  0  0  0  0  0  0999 V2000
   14.1244   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8843   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7904    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7904    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8843    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5874   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8772   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3261   -0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3261    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8772    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCCCC1=NC2=C(C=CC=C2)C(=C1)O

> <USER_SUPPLIED_SMILES>
OC1=CC(CCCCCCCCCCCCC)=NC2=C1C=CC=C2

$$$$
