
 CHEMBL3427239

 62 65  0  0  0  0  0  0  0  0999 V2000
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   -0.8949    0.3378    0.5890 H   0  0  0  0  0
    0.6246    0.4777    1.4869 H   0  0  0  0  0
    0.3206   -0.3617   -1.4526 H   0  0  0  0  0
    0.8795    2.2838   -0.1543 H   0  0  0  0  0
    0.1747    1.9275   -1.7425 H   0  0  0  0  0
    2.3246    1.4415   -2.6919 H   0  0  0  0  0
    2.7139    2.7904   -1.6017 H   0  0  0  0  0
    4.1028    0.5440   -1.2615 H   0  0  0  0  0
    3.3817    1.2792    0.1678 H   0  0  0  0  0
    3.6170   -1.6857   -1.4283 H   0  0  0  0  0
    2.3538   -1.1190   -2.5144 H   0  0  0  0  0
    0.6854   -2.5645   -1.1998 H   0  0  0  0  0
    1.9953   -3.0365   -0.1322 H   0  0  0  0  0
    1.3921   -2.8463   -3.8891 H   0  0  0  0  0
    1.8296   -4.7100   -5.4000 H   0  0  0  0  0
    3.2664   -7.0583   -2.0791 H   0  0  0  0  0
    2.8049   -5.1997   -0.5660 H   0  0  0  0  0
    3.6390   -5.9837   -6.4105 H   0  0  0  0  0
    4.0925   -7.8392   -7.8958 H   0  0  0  0  0
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    1.3444   -9.6520  -11.0403 H   0  0  0  0  0
    0.3925  -10.1067   -9.6122 H   0  0  0  0  0
    1.2856  -11.3576  -10.5538 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 23 24  1  0  0  0
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 28 29  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3427239

>  <PubChem CID>
78320398

>  <Formula>
C26H33NO2

>  <Molecular Weight>
391.555000

>  <IUPAC Name>
methyl 1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentane-1-carboxylate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)OC

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C26H33NO2/c1-20-6-5-18-27(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)26(25(28)29-2)16-3-4-17-26/h7-14,20H,3-6,15-19H2,1-2H3/t20-/m1/s1

>  <InChI Key>
ABMIIPGFGQPNJZ-HXUWFJFHSA-N

