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

Systemtic Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-methyl-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Formula: C17H13ClF3N3O2 MolecularWeight: 383.75223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F.Cl

InChI

InChI=1S/C17H12F3N3O2.ClH/c1-9-6-7-10(15(24)25)8-13(9)21-14-11-4-2-3-5-12(11)22-16(23-14)17(18,19)20;/h2-8H,1H3,(H,24,25)(H,21,22,23);1H