[(1S,2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-cyclohexyl] benzoate

Systemtic Name: [(1S,2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1S,2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2S)-2-(3,4-dimethoxyphenyl)-2-hydroxycyclohexyl] ester IUPAC Name: [(1S,2S)-2-(3,4-dimethoxyphenyl)-2-hydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-cyclohexyl] ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCCC2OC(=O)C3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@]2(CCCC[C@@H]2OC(=O)C3=CC=CC=C3)O)OC

InChI

InChI=1S/C21H24O5/c1-24-17-12-11-16(14-18(17)25-2)21(23)13-7-6-10-19(21)26-20(22)15-8-4-3-5-9-15/h3-5,8-9,11-12,14,19,23H,6-7,10,13H2,1-2H3/t19-,21-/m0/s1