2-[(2E)-2-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C3CCCCC3C(C)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C/3\CCCCC3C(C)C(=O)O)OC

InChI

InChI=1S/C21H26O6/c1-11-16-10-27-21(25)17(16)18(22)15(19(11)26-3)9-8-13-6-4-5-7-14(13)12(2)20(23)24/h8,12,14,22H,4-7,9-10H2,1-3H3,(H,23,24)/b13-8+