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

Systemtic Name: methyl 2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate CAS Name: 2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O2/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)