
 SCHEMBL708435

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL708435

>  <PubChem CID>
23080067

>  <Formula>
C31H29NO3

>  <Molecular Weight>
463.577000

>  <IUPAC Name>
2-[4-[[(3-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H29NO3/c1-23-9-7-13-27(21-23)30(33)32(20-8-12-24-10-3-2-4-11-24)22-25-16-18-26(19-17-25)28-14-5-6-15-29(28)31(34)35/h2-7,9-11,13-19,21H,8,12,20,22H2,1H3,(H,34,35)

>  <InChI Key>
GZEZXYMPLXUASP-UHFFFAOYSA-N

