3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C18H14F3N3O4/c1-27-13-7-11-12(8-14(13)28-2)23-17(18(19,20)21)24-15(11)22-10-5-3-4-9(6-10)16(25)26/h3-8H,1-2H3,(H,25,26)(H,22,23,24)