ethyl 4-[(4-butylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-butylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-butylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-butylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-butylanilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H23F3N2O2 MolecularWeight: 416.43613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C23H23F3N2O2/c1-3-5-6-15-7-10-17(11-8-15)28-21-18-12-9-16(23(24,25)26)13-20(18)27-14-19(21)22(29)30-4-2/h7-14H,3-6H2,1-2H3,(H,27,28)