[1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C26H18BrF3N2O3 MolecularWeight: 543.33193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H18BrF3N2O3/c1-15(24(33)31-19-9-5-8-17(12-19)26(28,29)30)35-25(34)21-14-23(16-6-3-2-4-7-16)32-22-11-10-18(27)13-20(21)22/h2-15H,1H3,(H,31,33)