4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-[4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyridyl]methyl]benzoic acid CAS Name: 4-[[3-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopyridin-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-keto-3-[4-(o-tolylcarbamoylamino)phenyl]-1-pyridyl]methyl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H23N3O4/c1-18-5-2-3-7-24(18)29-27(34)28-22-14-12-20(13-15-22)23-6-4-16-30(25(23)31)17-19-8-10-21(11-9-19)26(32)33/h2-16H,17H2,1H3,(H,32,33)(H2,28,29,34)