5-[3-[3-methyl-4-(2-oxidanylidenecyclohexyl)oxy-phenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[3-methyl-4-(2-oxidanylidenecyclohexyl)oxy-phenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[3-methyl-4-(2-oxocyclohexoxy)phenyl]propyl]benzofuran-2-carboxylic acid CAS Name: 5-[3-[3-methyl-4-(2-oxocyclohexyl)oxyphenyl]pentan-3-yl]-2-benzofurancarboxylic acid IUPAC Name: 5-[3-[3-methyl-4-(2-oxocyclohexyl)oxyphenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-ketocyclohexoxy)-3-methyl-phenyl]propyl]coumarilic acid Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OC2CCCCC2=O)C)C3=CC4=C(C=C3)OC(=C4)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OC2CCCCC2=O)C)C3=CC4=C(C=C3)OC(=C4)C(=O)O

InChI

InChI=1S/C27H30O5/c1-4-27(5-2,20-11-13-23-18(15-20)16-25(32-23)26(29)30)19-10-12-22(17(3)14-19)31-24-9-7-6-8-21(24)28/h10-16,24H,4-9H2,1-3H3,(H,29,30)