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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

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