5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-4-prop-2-enoxycarbonyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-4-prop-2-enoxycarbonyl-1-benzofuran-3-carboxylic acid Openeye Name: 4-allyloxycarbonyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-benzofuran-3-carboxylic acid CAS Name: 5-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methyl-4-[oxo(prop-2-enoxy)methyl]-3-benzofurancarboxylic acid IUPAC Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-4-prop-2-enoxycarbonyl-1-benzofuran-3-carboxylic acid Traditional Name: 4-allyloxycarbonyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-benzofuran-3-carboxylic acid Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C(=O)OCC=C)OC3=NC(=CC(=N3)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C(=O)OCC=C)OC3=NC(=CC(=N3)OC)OC)C(=O)O

InChI

InChI=1S/C20H18N2O8/c1-5-8-28-19(25)17-12(30-20-21-13(26-3)9-14(22-20)27-4)7-6-11-16(17)15(18(23)24)10(2)29-11/h5-7,9H,1,8H2,2-4H3,(H,23,24)