3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid hydrochloride CAS Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid hydrochloride IUPAC Name: 3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid hydrochloride Formula: C18H14ClF3N2O2 MolecularWeight: 382.76417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=CC(=C3)C(=O)O.Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=CC(=C3)C(=O)O.Cl

InChI

InChI=1S/C18H13F3N2O2.ClH/c1-10-7-15(23-13-4-2-3-11(8-13)17(24)25)14-6-5-12(18(19,20)21)9-16(14)22-10;/h2-9H,1H3,(H,22,23)(H,24,25);1H