ethyl 7-(trifluoromethyl)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7-(trifluoromethyl)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 7-(trifluoromethyl)-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate CAS Name: 7-(trifluoromethyl)-4-(3,4,5-trimethoxyanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(trifluoromethyl)-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylate Traditional Name: 7-(trifluoromethyl)-4-(3,4,5-trimethoxyanilino)quinoline-3-carboxylic acid ethyl ester Formula: C22H21F3N2O5 MolecularWeight: 450.40775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O5/c1-5-32-21(28)15-11-26-16-8-12(22(23,24)25)6-7-14(16)19(15)27-13-9-17(29-2)20(31-4)18(10-13)30-3/h6-11H,5H2,1-4H3,(H,26,27)