ethyl 4-[(4-propoxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-propoxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC=C2C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC=C2C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c1-3-12-30-15-10-8-14(9-11-15)27-19-16-6-5-7-18(22(23,24)25)20(16)26-13-17(19)21(28)29-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,26,27)