
 AC1L1AYE

 60 63  0  0  0  0  0  0  0  0999 V2000
    3.4290   -0.7305   -0.4280 C   0  0  0  0  0
    4.5661   -0.3805   -1.3989 C   0  0  0  0  0
    4.4140   -1.1201   -2.7405 C   0  0  0  0  0
    3.3213   -0.5260   -3.6226 C   0  0  0  0  0
    3.4902    0.9847   -3.7626 C   0  0  0  0  0
    3.6117    1.6604   -2.3824 C   0  0  0  0  0
    4.6924    1.0863   -1.5501 N   0  0  0  0  0
    6.0346    1.4447   -2.0233 C   0  0  0  0  0
    3.6733    3.1754   -2.3921 C   0  0  0  0  0
    3.7745    3.9909   -3.4558 C   0  0  0  0  0
    3.7614    5.5010   -3.3618 C   0  0  0  0  0
    5.0331    6.1393   -4.0083 C   0  0  0  0  0
    6.3260    5.7490   -3.2684 C   0  0  0  0  0
    7.5619    6.3704   -3.9200 C   0  0  0  0  0
    7.4422    7.8838   -4.0631 C   0  0  0  0  0
    6.1584    8.2848   -4.7841 C   0  0  0  0  0
    4.9280    7.6906   -4.0887 C   0  0  0  0  0
    3.6293    8.1528   -4.7764 C   0  0  0  0  0
    2.4565    7.5484   -4.0316 C   0  0  0  0  0
    2.5267    6.0358   -4.0928 C   0  0  0  0  0
    1.1229    5.6539   -3.6553 C   0  0  0  0  0
    0.3109    6.6574   -4.3077 O   0  0  0  0  0
    1.0754    7.7684   -4.5811 C   0  0  0  0  0
    0.6636    8.7746   -5.1291 O   0  0  0  0  0
    0.8331    5.6827   -2.1604 C   0  0  0  0  0
    3.5537   -0.1999    0.5226 H   0  0  0  0  0
    3.4377   -1.8037   -0.2066 H   0  0  0  0  0
    2.4387   -0.4868   -0.8236 H   0  0  0  0  0
    5.4760   -0.7607   -0.9144 H   0  0  0  0  0
    4.2046   -2.1823   -2.5655 H   0  0  0  0  0
    5.3655   -1.0823   -3.2858 H   0  0  0  0  0
    3.3450   -0.9964   -4.6122 H   0  0  0  0  0
    2.3364   -0.7467   -3.1941 H   0  0  0  0  0
    4.3710    1.1943   -4.3817 H   0  0  0  0  0
    2.6231    1.3840   -4.3038 H   0  0  0  0  0
    2.6645    1.4578   -1.8631 H   0  0  0  0  0
    6.7985    1.0198   -1.3620 H   0  0  0  0  0
    6.1923    2.5271   -1.9903 H   0  0  0  0  0
    6.2411    1.0988   -3.0408 H   0  0  0  0  0
    3.6040    3.6185   -1.3987 H   0  0  0  0  0
    3.8556    3.5711   -4.4566 H   0  0  0  0  0
    3.7221    5.8092   -2.3084 H   0  0  0  0  0
    5.1150    5.7586   -5.0380 H   0  0  0  0  0
    6.2661    6.0721   -2.2215 H   0  0  0  0  0
    6.4509    4.6611   -3.2601 H   0  0  0  0  0
    8.4506    6.1281   -3.3260 H   0  0  0  0  0
    7.7110    5.9241   -4.9110 H   0  0  0  0  0
    7.4601    8.3460   -3.0683 H   0  0  0  0  0
    8.3086    8.2728   -4.6097 H   0  0  0  0  0
    6.0855    9.3786   -4.8074 H   0  0  0  0  0
    6.2013    7.9452   -5.8266 H   0  0  0  0  0
    4.9094    8.0802   -3.0598 H   0  0  0  0  0
    3.5586    9.2471   -4.7613 H   0  0  0  0  0
    3.6206    7.8533   -5.8323 H   0  0  0  0  0
    2.4528    7.9160   -2.9976 H   0  0  0  0  0
    2.6079    5.7424   -5.1539 H   0  0  0  0  0
    0.8437    4.6763   -4.0635 H   0  0  0  0  0
    1.0285    6.6659   -1.7214 H   0  0  0  0  0
    1.4179    4.9366   -1.6180 H   0  0  0  0  0
   -0.2285    5.4769   -1.9838 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 21 57  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
M  END

>  <Chemical Name>
AC1L1AYE

>  <PubChem CID>
1205

>  <Formula>
C22H35NO2

>  <Molecular Weight>
345.527000

>  <IUPAC Name>
4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C

>  <Isomeric SMILES>
CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C

>  <InChI Std. ID>
InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3

>  <InChI Key>
FMPNFDSPHNUFOS-UHFFFAOYSA-N

