[3-(trifluoromethyl)phenyl]methyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [3-(trifluoromethyl)benzyl] ester Formula: C24H15BrF3NO2 MolecularWeight: 486.28061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H15BrF3NO2/c25-18-10-8-16(9-11-18)22-13-20(19-6-1-2-7-21(19)29-22)23(30)31-14-15-4-3-5-17(12-15)24(26,27)28/h1-13H,14H2