5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(phenylcarbonyl)-2-(trifluoromethyl)-1-benzofuran-4-carboxylic acid

Systemtic Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(phenylcarbonyl)-2-(trifluoromethyl)-1-benzofuran-4-carboxylic acid Openeye Name: 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)benzofuran-4-carboxylic acid CAS Name: 3-benzoyl-5-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-(trifluoromethyl)-4-benzofurancarboxylic acid IUPAC Name: 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)-1-benzofuran-4-carboxylic acid Traditional Name: 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)benzofuran-4-carboxylic acid Formula: C23H15F3N2O7 MolecularWeight: 488.36961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C3=C(C=C2)OC(=C3C(=O)C4=CC=CC=C4)C(F)(F)F)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C3=C(C=C2)OC(=C3C(=O)C4=CC=CC=C4)C(F)(F)F)C(=O)O)OC

InChI

InChI=1S/C23H15F3N2O7/c1-32-14-10-15(33-2)28-22(27-14)35-13-9-8-12-16(17(13)21(30)31)18(20(34-12)23(24,25)26)19(29)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,30,31)