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

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C21H17F3N2O4 MolecularWeight: 418.36589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H17F3N2O4/c1-12-11-17(16-5-3-4-6-18(16)25-12)20(28)29-13(2)19(27)26-14-7-9-15(10-8-14)30-21(22,23)24/h3-11,13H,1-2H3,(H,26,27)