(3E)-3-butylidene-7-(4,6-dimethoxypyrimidin-2-yl)oxy-2-benzofuran-1-one

Systemtic Name: (3E)-3-butylidene-7-(4,6-dimethoxypyrimidin-2-yl)oxy-2-benzofuran-1-one Openeye Name: (3E)-3-butylidene-7-(4,6-dimethoxypyrimidin-2-yl)oxy-isobenzofuran-1-one CAS Name: (3E)-3-butylidene-7-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-1-isobenzofuranone IUPAC Name: (3E)-3-butylidene-7-(4,6-dimethoxypyrimidin-2-yl)oxy-2-benzofuran-1-one Traditional Name: (3E)-3-butylidene-7-(4,6-dimethoxypyrimidin-2-yl)oxy-phthalide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O1

Isomeric SMILES

CCC/C=C/1\C2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O1

InChI

InChI=1S/C18H18N2O5/c1-4-5-8-12-11-7-6-9-13(16(11)17(21)24-12)25-18-19-14(22-2)10-15(20-18)23-3/h6-10H,4-5H2,1-3H3/b12-8+