4-[[[1-(3-chlorophenyl)-6-methyl-2-oxidanylidene-pyridin-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-(3-chlorophenyl)-6-methyl-2-oxidanylidene-pyridin-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(3-chlorophenyl)-6-methyl-2-oxo-pyridine-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-(3-chlorophenyl)-6-methyl-2-oxo-3-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(3-chlorophenyl)-6-methyl-2-oxopyridine-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-(3-chlorophenyl)-2-keto-6-methyl-nicotinoyl]amino]methyl]benzoic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C(=O)N1C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17ClN2O4/c1-13-5-10-18(20(26)24(13)17-4-2-3-16(22)11-17)19(25)23-12-14-6-8-15(9-7-14)21(27)28/h2-11H,12H2,1H3,(H,23,25)(H,27,28)