
 CHEMBL3956293

 70 73  0  0  0  0  0  0  0  0999 V2000
    6.2174    6.5236    3.0399 C   0  0  0  0  0
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    5.4802    6.5290    2.2294 H   0  0  0  0  0
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    4.2121   -0.5384   -2.2564 H   0  0  0  0  0
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    4.8036   -0.8407   -8.0714 H   0  0  0  0  0
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    7.1556   -1.0404    1.7567 H   0  0  0  0  0
    7.6372   -1.7520    4.0447 H   0  0  0  0  0
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   12.4073    5.0304   -1.7661 H   0  0  0  0  0
   10.7857    4.7084   -2.3973 H   0  0  0  0  0
   11.5609    3.5785   -1.2194 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3956293

>  <PubChem CID>
134145238

>  <Formula>
C32H31NO6

>  <Molecular Weight>
525.601000

>  <IUPAC Name>
3-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]benzoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC(=C4)C(=O)O)OC

>  <Isomeric SMILES>
COC1=CC(=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC(=C4)C(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C32H31NO6/c1-37-29-19-26(20-30(21-29)38-2)31(34)33(17-7-10-23-8-4-3-5-9-23)22-24-13-15-27(16-14-24)39-28-12-6-11-25(18-28)32(35)36/h3-6,8-9,11-16,18-21H,7,10,17,22H2,1-2H3,(H,35,36)

>  <InChI Key>
CQGCQTYFJQFJBJ-UHFFFAOYSA-N

