methyl 2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C(F)(F)F.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C(F)(F)F.Cl

InChI

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