[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C25H16ClF3N2O3 MolecularWeight: 484.85435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

InChI

InChI=1S/C25H16ClF3N2O3/c26-19-11-6-10-18(25(27,28)29)23(19)31-22(32)14-34-24(33)17-13-21(15-7-2-1-3-8-15)30-20-12-5-4-9-16(17)20/h1-13H,14H2,(H,31,32)