4-[4-[[(4-methoxyphenyl)carbonyl-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[[(4-methoxyphenyl)carbonyl-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[[(4-methoxybenzoyl)-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid CAS Name: 4-[4-[[[(4-methoxyphenyl)-oxomethyl]-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[[(4-methoxybenzoyl)-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[p-anisoyl(4-phenylbutyl)amino]methyl]phenyl]benzoic acid Formula: C32H31NO4 MolecularWeight: 493.59284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C32H31NO4/c1-37-30-20-18-28(19-21-30)31(34)33(22-6-5-9-24-7-3-2-4-8-24)23-25-10-12-26(13-11-25)27-14-16-29(17-15-27)32(35)36/h2-4,7-8,10-21H,5-6,9,22-23H2,1H3,(H,35,36)