methyl 3-[[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(2-chlorobenzyl)-6-keto-nicotinoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H21ClN2O4/c1-30-22(28)13-20(16-7-3-2-4-8-16)25-23(29)18-11-12-21(27)26(15-18)14-17-9-5-6-10-19(17)24/h2-12,15,20H,13-14H2,1H3,(H,25,29)