[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoyl-4,5-dimethoxy-benzoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoyl-4,5-dimethoxy-benzoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-formyl-4,5-dimethoxy-benzoate CAS Name: 2-formyl-4,5-dimethoxybenzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-formyl-4,5-dimethoxybenzoate Traditional Name: 2-formyl-4,5-dimethoxy-benzoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=C(C=C2C=O)OC)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2C=O)OC)OC)C(C)C

InChI

InChI=1S/C20H28O5/c1-12(2)15-7-6-13(3)8-17(15)25-20(22)16-10-19(24-5)18(23-4)9-14(16)11-21/h9-13,15,17H,6-8H2,1-5H3/t13-,15+,17-/m1/s1