[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 3,4-dimethylbenzoate

Systemtic Name: [(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 3,4-dimethylbenzoate Openeye Name: [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H28O2 MolecularWeight: 288.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O2/c1-12(2)17-9-6-13(3)10-18(17)21-19(20)16-8-7-14(4)15(5)11-16/h7-8,11-13,17-18H,6,9-10H2,1-5H3/t13-,17+,18+/m0/s1