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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

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