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

Systemtic Name: methyl (2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[(4-butoxyphenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[(4-butoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-(4-butoxybenzylidene)-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5/c1-3-4-11-25-16-8-5-14(6-9-16)12-19-20(22)17-13-15(21(23)24-2)7-10-18(17)26-19/h5-10,12-13H,3-4,11H2,1-2H3/b19-12-