3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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