3-[3-[[(4-methoxyphenyl)carbonyl-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[(4-methoxyphenyl)carbonyl-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[(4-methoxybenzoyl)-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[[(4-methoxyphenyl)-oxomethyl]-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[(4-methoxybenzoyl)-(4-phenylbutyl)amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[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=CC(=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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