5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O4/c1-27-9-3-4-10-12(7-9)22-16(17(18,19)20)23-14(10)21-8-2-5-13(24)11(6-8)15(25)26/h2-7,24H,1H3,(H,25,26)(H,21,22,23)