5-[3-[4-(3,3-dimethyl-2-oxidanylidene-cyclohexyl)oxy-3-methyl-phenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanylidene-cyclohexyl)oxy-3-methyl-phenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[1-[4-(3,3-dimethyl-2-oxo-cyclohexoxy)-3-methyl-phenyl]-1-ethyl-propyl]benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(3,3-dimethyl-2-oxocyclohexyl)oxy-3-methylphenyl]pentan-3-yl]-2-benzofurancarboxylic acid IUPAC Name: 5-[3-[4-(3,3-dimethyl-2-oxocyclohexyl)oxy-3-methylphenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-cyclohexoxy)-3-methyl-phenyl]propyl]coumarilic acid Formula: C29H34O5 MolecularWeight: 462.57726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OC2CCCC(C2=O)(C)C)C)C3=CC4=C(C=C3)OC(=C4)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OC2CCCC(C2=O)(C)C)C)C3=CC4=C(C=C3)OC(=C4)C(=O)O

InChI

InChI=1S/C29H34O5/c1-6-29(7-2,21-11-13-23-19(16-21)17-25(34-23)27(31)32)20-10-12-22(18(3)15-20)33-24-9-8-14-28(4,5)26(24)30/h10-13,15-17,24H,6-9,14H2,1-5H3,(H,31,32)