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

Systemtic Name: 4-[4-[[(4-methoxyphenyl)carbonyl-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[[(4-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid CAS Name: 4-[4-[[[(4-methoxyphenyl)-oxomethyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[[(4-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[p-anisoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Formula: C31H29NO4 MolecularWeight: 479.56626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCC2=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(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H29NO4/c1-36-29-19-17-27(18-20-29)30(33)32(21-5-8-23-6-3-2-4-7-23)22-24-9-11-25(12-10-24)26-13-15-28(16-14-26)31(34)35/h2-4,6-7,9-20H,5,8,21-22H2,1H3,(H,34,35)