[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C28H22ClF3N2O3 MolecularWeight: 526.93409

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C28H22ClF3N2O3/c1-3-21-16(2)24(19-11-7-8-12-22(19)33-21)27(36)37-25(17-9-5-4-6-10-17)26(35)34-23-15-18(28(30,31)32)13-14-20(23)29/h4-15,25H,3H2,1-2H3,(H,34,35)