[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

InChI

InChI=1S/C20H24N2O3/c1-13-6-7-18-16(9-13)17(10-15(3)21-18)20(24)25-12-19(23)22-8-4-5-14(2)11-22/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/t14-/m0/s1