4-[(4-propoxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 4-[(4-propoxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Openeye Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride CAS Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Traditional Name: 4-(4-propoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Formula: C20H18ClF3N2O3 MolecularWeight: 426.81673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O3.ClH/c1-2-10-28-13-8-6-12(7-9-13)25-17-14-4-3-5-16(20(21,22)23)18(14)24-11-15(17)19(26)27;/h3-9,11H,2,10H2,1H3,(H,24,25)(H,26,27);1H