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

Systemtic Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Formula: C18H13F3N3O4- MolecularWeight: 392.30873

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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)/p-1