[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H17N3O4/c1-21-20(26)23-18(24)17(14-8-3-2-4-9-14)27-19(25)16-12-11-13-7-5-6-10-15(13)22-16/h2-12,17H,1H3,(H2,21,23,24,26)/t17-/m0/s1