[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)N3CCCCC3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3/c1-4-17-14(2)19(16-10-6-7-11-18(16)22-17)21(25)26-15(3)20(24)23-12-8-5-9-13-23/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1