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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N3CCCCC3C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N3CCCC[C@@H]3C)C

InChI

InChI=1S/C21H26N2O3/c1-4-17-20(15(3)16-10-5-6-11-18(16)22-17)21(25)26-13-19(24)23-12-8-7-9-14(23)2/h5-6,10-11,14H,4,7-9,12-13H2,1-3H3/t14-/m0/s1