2-[(2E)-2-[2-(4-acetyloxy-7-methyl-3-oxidanylidene-6-prop-2-enyl-1H-2-benzofuran-5-yl)ethylidene]cycloheptyl]propanoic acid

Systemtic Name: 2-[(2E)-2-[2-(4-acetyloxy-7-methyl-3-oxidanylidene-6-prop-2-enyl-1H-2-benzofuran-5-yl)ethylidene]cycloheptyl]propanoic acid Openeye Name: 2-[(2E)-2-[2-(4-acetoxy-6-allyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cycloheptyl]propanoic acid CAS Name: 2-[(2E)-2-[2-(4-acetyloxy-7-methyl-3-oxo-6-prop-2-enyl-1H-isobenzofuran-5-yl)ethylidene]cycloheptyl]propanoic acid IUPAC Name: 2-[(2E)-2-[2-(4-acetyloxy-7-methyl-3-oxo-6-prop-2-enyl-1H-2-benzofuran-5-yl)ethylidene]cycloheptyl]propanoic acid Traditional Name: 2-[(2E)-2-[2-(4-acetoxy-6-allyl-3-keto-7-methyl-phthalan-5-yl)ethylidene]cycloheptyl]propionic acid Formula: C26H32O6 MolecularWeight: 440.52868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)CC=C3CCCCCC3C(C)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)C/C=C/3\CCCCCC3C(C)C(=O)O)CC=C

InChI

InChI=1S/C26H32O6/c1-5-9-20-15(2)22-14-31-26(30)23(22)24(32-17(4)27)21(20)13-12-18-10-7-6-8-11-19(18)16(3)25(28)29/h5,12,16,19H,1,6-11,13-14H2,2-4H3,(H,28,29)/b18-12+