2-[4-[[(3-methylphenyl)carbonyl-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(3-methylphenyl)carbonyl-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(3-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[(3-methylphenyl)-oxomethyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(3-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[m-toluoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

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

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)