ethyl 1-[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-ethyl-4-keto-6-(trifluoromethyl)quinoline-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H23F3N2O4 MolecularWeight: 424.41353

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H23F3N2O4/c1-3-25-12-16(18(27)15-11-14(21(22,23)24)5-6-17(15)25)19(28)26-9-7-13(8-10-26)20(29)30-4-2/h5-6,11-13H,3-4,7-10H2,1-2H3