[4-[[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethanoyl]oxymethyl]phenyl] 1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: [4-[[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethanoyl]oxymethyl]phenyl] 1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: [4-[[2-(3,4-dimethoxyphenyl)-2-hydroxy-acetyl]oxymethyl]phenyl] 1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 1-methyl-2-oxo-1-cyclohexanecarboxylic acid [4-[[2-(3,4-dimethoxyphenyl)-2-hydroxy-1-oxoethoxy]methyl]phenyl] ester IUPAC Name: [4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyacetyl]oxymethyl]phenyl] 1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-methyl-cyclohexanecarboxylic acid [4-[[2-(3,4-dimethoxyphenyl)-2-hydroxy-acetyl]oxymethyl]phenyl] ester Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)C(=O)OC2=CC=C(C=C2)COC(=O)C(C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1(CCCCC1=O)C(=O)OC2=CC=C(C=C2)COC(=O)C(C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C25H28O8/c1-25(13-5-4-6-21(25)26)24(29)33-18-10-7-16(8-11-18)15-32-23(28)22(27)17-9-12-19(30-2)20(14-17)31-3/h7-12,14,22,27H,4-6,13,15H2,1-3H3