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

Systemtic Name: methoxycarbonyl (2Z)-2-[(2-butoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methoxycarbonyl (2Z)-2-[(2-butoxyphenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[(2-butoxyphenyl)methylidene]-3-oxo-5-benzofurancarboxylic acid methoxycarbonyl ester IUPAC Name: methoxycarbonyl (2Z)-2-[(2-butoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-(2-butoxybenzylidene)-3-keto-coumaran-5-carboxylic acid carbomethoxy ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20O7/c1-3-4-11-27-17-8-6-5-7-14(17)13-19-20(23)16-12-15(9-10-18(16)28-19)21(24)29-22(25)26-2/h5-10,12-13H,3-4,11H2,1-2H3/b19-13-