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

Systemtic Name: methyl (2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[(4-hexoxyphenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-(4-hexoxybenzylidene)-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C23H24O5 MolecularWeight: 380.43366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H24O5/c1-3-4-5-6-13-27-18-10-7-16(8-11-18)14-21-22(24)19-15-17(23(25)26-2)9-12-20(19)28-21/h7-12,14-15H,3-6,13H2,1-2H3/b21-14-