2-[2-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[[2-phenylethanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[2-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[2-[[(1-oxo-2-phenylethyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[[(2-phenylacetyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[2-[[(2-phenylacetyl)-(3-phenylpropyl)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)CCCN(CC2=CC=CC=C2C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=CC=C2C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

InChI

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