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

Systemtic Name: methyl (2Z)-2-[[4-(3-methylbutoxy)phenyl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[(4-isopentyloxyphenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[4-(3-methylbutoxy)phenyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[4-(3-methylbutoxy)phenyl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-(4-isoamoxybenzylidene)-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5/c1-14(2)10-11-26-17-7-4-15(5-8-17)12-20-21(23)18-13-16(22(24)25-3)6-9-19(18)27-20/h4-9,12-14H,10-11H2,1-3H3/b20-12-