ethyl 1-[[4-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-3-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-keto-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]nipecotic acid ethyl ester Formula: C19H19F3N2O4 MolecularWeight: 396.36037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CNC3=C(C2=O)C=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CNC3=C(C2=O)C=CC=C3C(F)(F)F

InChI

InChI=1S/C19H19F3N2O4/c1-2-28-18(27)11-5-4-8-24(10-11)17(26)13-9-23-15-12(16(13)25)6-3-7-14(15)19(20,21)22/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,23,25)