[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C22H19F3N2O3 MolecularWeight: 416.39307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H19F3N2O3/c1-3-16-13(2)20(14-8-4-6-10-17(14)26-16)21(29)30-12-19(28)27-18-11-7-5-9-15(18)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,27,28)