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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C26H28N2O3/c1-3-21-18(2)23(20-14-8-9-15-22(20)27-21)26(30)31-24(19-12-6-4-7-13-19)25(29)28-16-10-5-11-17-28/h4,6-9,12-15,24H,3,5,10-11,16-17H2,1-2H3/t24-/m1/s1