[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C19H22N2O4/c1-13(18(23)21-10-6-2-3-7-11-21)25-19(24)15-12-17(22)20-16-9-5-4-8-14(15)16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,22)/t13-/m0/s1