(4-methylcyclohexyl) 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: (4-methylcyclohexyl) 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: (4-methylcyclohexyl) 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-3-benzofurancarboxylic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-7-methoxy-5-methylol-benzofuran-3-carboxylic acid (4-methylcyclohexyl) ester Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CO)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CO)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H34O5/c1-17-6-12-21(13-7-17)32-27(30)24-22-14-18(16-29)15-23(31-5)26(22)33-25(24)19-8-10-20(11-9-19)28(2,3)4/h8-11,14-15,17,21,29H,6-7,12-13,16H2,1-5H3