ethyl 4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(5-chloro-2,4-dimethoxy-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(5-chloro-2,4-dimethoxyanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2,4-dimethoxyanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(5-chloro-2,4-dimethoxy-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClF3N2O4 MolecularWeight: 454.82683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC(=C(C=C3OC)OC)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC(=C(C=C3OC)OC)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N2O4/c1-4-31-20(28)13-10-26-15-7-11(21(23,24)25)5-6-12(15)19(13)27-16-8-14(22)17(29-2)9-18(16)30-3/h5-10H,4H2,1-3H3,(H,26,27)