[(E)-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl] cycloheptanecarboxylate

Systemtic Name: [(E)-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl] cycloheptanecarboxylate Openeye Name: [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] cycloheptanecarboxylate CAS Name: cycloheptanecarboxylic acid [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] ester IUPAC Name: [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)prop-1-enyl] cycloheptanecarboxylate Traditional Name: cycloheptanecarboxylic acid [(E)-3-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)prop-1-enyl] ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=COC(=O)C3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C/OC(=O)C3CCCCCC3)OC

InChI

InChI=1S/C21H26O6/c1-13-16-12-27-21(24)17(16)18(22)15(19(13)25-2)10-7-11-26-20(23)14-8-5-3-4-6-9-14/h7,11,14,22H,3-6,8-10,12H2,1-2H3/b11-7+