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

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methoxybenzoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H26O3 MolecularWeight: 290.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3/c1-12(2)16-10-5-13(3)11-17(16)21-18(19)14-6-8-15(20-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3/t13-,16+,17+/m1/s1