[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H20N2O4/c1-12-5-4-8-20(10-12)17(22)11-24-18(23)15-9-16(21)13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,19,21)/t12-/m0/s1