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

Systemtic Name: ethyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(5-chloro-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(5-chloro-2-methylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(5-chloro-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H16ClF3N2O2 MolecularWeight: 408.80145

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