[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H16F3NO5 MolecularWeight: 419.35065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F

InChI

InChI=1S/C21H16F3NO5/c1-28-12-7-8-18(29-2)14(9-12)17(26)11-30-20(27)15-10-25-16-6-4-3-5-13(16)19(15)21(22,23)24/h3-10H,11H2,1-2H3