[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C26H18ClF3N2O3 MolecularWeight: 498.88093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C26H18ClF3N2O3/c1-15-13-19(18-9-5-6-10-22(18)31-15)25(34)35-23(16-7-3-2-4-8-16)24(33)32-17-11-12-21(27)20(14-17)26(28,29)30/h2-14,23H,1H3,(H,32,33)