methyl (2Z)-2-[(4-butoxy-3-ethoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-2-[(4-butoxy-3-ethoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[(4-butoxy-3-ethoxy-phenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-(4-butoxy-3-ethoxy-benzylidene)-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C23H24O6 MolecularWeight: 396.43306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OCC

InChI

InChI=1S/C23H24O6/c1-4-6-11-28-19-9-7-15(12-20(19)27-5-2)13-21-22(24)17-14-16(23(25)26-3)8-10-18(17)29-21/h7-10,12-14H,4-6,11H2,1-3H3/b21-13-