3-[3-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[(1-oxo-3-phenylpropyl)-phenethylamino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[phenethyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[hydrocinnamoyl(phenethyl)amino]methyl]phenyl]benzoic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C31H29NO3/c33-30(18-17-24-9-3-1-4-10-24)32(20-19-25-11-5-2-6-12-25)23-26-13-7-14-27(21-26)28-15-8-16-29(22-28)31(34)35/h1-16,21-22H,17-20,23H2,(H,34,35)