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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C26H18F3NO3 MolecularWeight: 449.42123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H18F3NO3/c1-16-23(20-12-5-6-13-21(20)30-24(16)17-8-3-2-4-9-17)25(32)33-15-22(31)18-10-7-11-19(14-18)26(27,28)29/h2-14H,15H2,1H3