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

Systemtic Name: 2-(2-methylphenyl)-4-[[2-phenylethanoyl(pyridin-3-yl)amino]methyl]benzoic acid Openeye Name: 2-(o-tolyl)-4-[[(2-phenylacetyl)-(3-pyridyl)amino]methyl]benzoic acid CAS Name: 2-(2-methylphenyl)-4-[[(1-oxo-2-phenylethyl)-(3-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 2-(2-methylphenyl)-4-[[(2-phenylacetyl)-pyridin-3-ylamino]methyl]benzoic acid Traditional Name: 2-(o-tolyl)-4-[[(2-phenylacetyl)-(3-pyridyl)amino]methyl]benzoic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)C(=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)C(=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H24N2O3/c1-20-8-5-6-12-24(20)26-16-22(13-14-25(26)28(32)33)19-30(23-11-7-15-29-18-23)27(31)17-21-9-3-2-4-10-21/h2-16,18H,17,19H2,1H3,(H,32,33)