
 CHEMBL3937066

 55 57  0  0  0  0  0  0  0  0999 V2000
    2.6038   -0.3781    1.5299 C   0  0  0  0  0
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    4.2467  -10.4329  -10.4230 C   0  0  0  0  0
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    3.5059   -0.1452    2.1055 H   0  0  0  0  0
    1.8489    0.3794    1.7698 H   0  0  0  0  0
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    1.4278   -0.9827    3.7718 H   0  0  0  0  0
    2.6337   -2.2760    3.9263 H   0  0  0  0  0
    1.0458   -3.9529    3.2221 H   0  0  0  0  0
    0.0534   -2.8977    4.2540 H   0  0  0  0  0
   -0.7994   -3.3259    1.7604 H   0  0  0  0  0
   -0.7746   -1.6667    2.3530 H   0  0  0  0  0
    0.0739   -3.3457   -0.3699 H   0  0  0  0  0
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    4.4873   -9.4199   -6.1086 H   0  0  0  0  0
    1.1790   -7.6797   -8.2509 H   0  0  0  0  0
    0.9209   -6.0024   -6.4969 H   0  0  0  0  0
    2.0315   -9.8879   -8.8806 H   0  0  0  0  0
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    3.7823   -8.4182   -9.9359 H   0  0  0  0  0
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    5.0993  -11.3232  -12.7466 H   0  0  0  0  0
    5.7219  -12.3928  -11.4370 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
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  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
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  5 35  1  0  0  0
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  6  7  1  0  0  0
  7  8  1  0  0  0
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  8  9  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3937066

>  <PubChem CID>
134149385

>  <Formula>
C23H29NO2

>  <Molecular Weight>
351.490000

>  <IUPAC Name>
methyl 3-[4-[4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-7-12-22(13-8-20)21-10-5-19(6-11-21)9-14-23(25)26-2/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3/t18-/m0/s1

>  <InChI Key>
AAZRUJBRNBEHMO-SFHVURJKSA-N

