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

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-4-phenyl-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxo-4-phenyl-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(2-chlorophenyl)methyl]-2-oxo-4-phenyl-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxo-4-phenylpyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-keto-4-phenyl-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C29H26ClN3O4 MolecularWeight: 515.98744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C=CN(C2=O)CC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C=CN(C2=O)CC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H26ClN3O4/c1-19-11-13-21(14-12-19)25(17-26(34)35)31-29(37)32-27-23(20-7-3-2-4-8-20)15-16-33(28(27)36)18-22-9-5-6-10-24(22)30/h2-16,25H,17-18H2,1H3,(H,34,35)(H2,31,32,37)