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

Systemtic Name: ethyl 4-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-chloro-2-methoxy-5-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-chloro-2-methoxy-5-methylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-methoxy-5-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-chloro-2-methoxy-5-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClF3N2O3 MolecularWeight: 438.82743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2O3/c1-4-30-20(28)14-10-26-16-8-12(21(23,24)25)5-6-13(16)19(14)27-17-7-11(2)15(22)9-18(17)29-3/h5-10H,4H2,1-3H3,(H,26,27)