methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxo-pyridine-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-(4-chlorobenzyl)-2-keto-nicotinoyl]amino]propionic acid methyl ester Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O4/c1-11(17(23)24-2)19-15(21)14-4-3-9-20(16(14)22)10-12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m0/s1