methyl (1S,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R)-2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethyl-cyclohexanecarboxylate CAS Name: (1S,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R,3R)-2-(2-m-cumenylethyl)-1,3-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1CCC2=CC(=CC=C2)C(C)C)(C)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[C@]([C@@H]1CCC2=CC(=CC=C2)C(C)C)(C)C(=O)OC

InChI

InChI=1S/C21H32O2/c1-15(2)18-10-6-9-17(14-18)11-12-19-16(3)8-7-13-21(19,4)20(22)23-5/h6,9-10,14-16,19H,7-8,11-13H2,1-5H3/t16-,19-,21+/m1/s1