4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Formula: C17H13ClF3N3O3 MolecularWeight: 399.75163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C17H12F3N3O3.ClH/c1-26-11-6-7-12-13(8-11)22-16(17(18,19)20)23-14(12)21-10-4-2-9(3-5-10)15(24)25;/h2-8H,1H3,(H,24,25)(H,21,22,23);1H