[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H19N3O4/c1-3-11(2)18-17(23)20-15(21)10-24-16(22)14-9-8-12-6-4-5-7-13(12)19-14/h4-9,11H,3,10H2,1-2H3,(H2,18,20,21,23)/t11-/m0/s1