methyl 2-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzofuran-5-carboxylate Openeye Name: methyl 2-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzofuran-5-carboxylate CAS Name: 2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzofuran-5-carboxylate Traditional Name: 2-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzofuran-5-carboxylic acid methyl ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C28H36O5/c1-8-28(9-2,25-16-20-15-19(26(30)31-7)10-12-23(20)33-25)21-11-13-22(18(3)14-21)32-17-24(29)27(4,5)6/h10-16,24,29H,8-9,17H2,1-7H3