2-(2-methylphenyl)-4-[[phenylcarbonyl(pyridin-3-yl)amino]methyl]benzoic acid

Systemtic Name: 2-(2-methylphenyl)-4-[[phenylcarbonyl(pyridin-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[benzoyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[benzoyl(3-pyridinyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[benzoyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[benzoyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H22N2O3/c1-19-8-5-6-12-23(19)25-16-20(13-14-24(25)27(31)32)18-29(22-11-7-15-28-17-22)26(30)21-9-3-2-4-10-21/h2-17H,18H2,1H3,(H,31,32)