[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H17F3N2O3/c1-12-11-15(14-7-3-5-9-17(14)25-12)20(28)29-13(2)19(27)26-18-10-6-4-8-16(18)21(22,23)24/h3-11,13H,1-2H3,(H,26,27)/t13-/m1/s1