[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C25H16BrF3N2O4 MolecularWeight: 545.30475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H16BrF3N2O4/c26-16-6-11-21-19(12-16)20(13-22(31-21)15-4-2-1-3-5-15)24(33)34-14-23(32)30-17-7-9-18(10-8-17)35-25(27,28)29/h1-13H,14H2,(H,30,32)