[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H18N2O4/c1-3-10(2)17-15(20)9-22-16(21)13-8-14(19)11-6-4-5-7-12(11)18-13/h4-8,10H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1