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

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methylbenzoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H26O2 MolecularWeight: 274.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H26O2/c1-12(2)16-10-7-14(4)11-17(16)20-18(19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17+/m1/s1