5-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-7-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-7-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-7-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-7-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-7-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-7-methyl-coumarilic acid Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC(=C3C(=C2)C=C(O3)C(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC(=C3C(=C2)C=C(O3)C(=O)O)C

InChI

InChI=1S/C28H34O5/c1-8-28(9-2,21-13-18(4)25-19(14-21)15-23(33-25)26(30)31)20-10-11-22(17(3)12-20)32-16-24(29)27(5,6)7/h10-15H,8-9,16H2,1-7H3,(H,30,31)