3-[(3-cyanophenyl)methyl]-4-[[3-(phenylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[(3-cyanophenyl)methyl]-4-[[3-(phenylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[(3-benzylbenzoyl)amino]-3-[(3-cyanophenyl)methyl]benzoic acid CAS Name: 3-[(3-cyanophenyl)methyl]-4-[[oxo-[3-(phenylmethyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[(3-benzylbenzoyl)amino]-3-[(3-cyanophenyl)methyl]benzoic acid Traditional Name: 4-[(3-benzylbenzoyl)amino]-3-(3-cyanobenzyl)benzoic acid Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H22N2O3/c30-19-23-10-4-8-22(15-23)17-26-18-25(29(33)34)12-13-27(26)31-28(32)24-11-5-9-21(16-24)14-20-6-2-1-3-7-20/h1-13,15-16,18H,14,17H2,(H,31,32)(H,33,34)