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

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H13ClF3NO4 MolecularWeight: 423.76973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClF3NO4/c1-28-17-7-6-11(8-14(17)21)16(26)10-29-19(27)13-9-25-15-5-3-2-4-12(15)18(13)20(22,23)24/h2-9H,10H2,1H3