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

Systemtic Name: ethyl 4-[(4-bromanyl-2-methyl-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-bromo-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-bromo-2-methyl-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H16BrF3N2O2 MolecularWeight: 453.25245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrF3N2O2/c1-3-28-19(27)15-10-25-17-9-12(20(22,23)24)4-6-14(17)18(15)26-16-7-5-13(21)8-11(16)2/h4-10H,3H2,1-2H3,(H,25,26)