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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C23H24O6/c1-14(2)9-10-28-19-7-5-15(11-20(19)26-3)12-21-22(24)17-13-16(23(25)27-4)6-8-18(17)29-21/h5-8,11-14H,9-10H2,1-4H3/b21-12-