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

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(3-chloro-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(3-chloro-2-methylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(3-chloro-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H16ClF3N2O2 MolecularWeight: 408.80145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=C(C(=CC=C3)Cl)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=C(C(=CC=C3)Cl)C)C(F)(F)F

InChI

InChI=1S/C20H16ClF3N2O2/c1-3-28-19(27)14-10-25-17-9-12(20(22,23)24)7-8-13(17)18(14)26-16-6-4-5-15(21)11(16)2/h4-10H,3H2,1-2H3,(H,25,26)