[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] adamantane-2-carboxylate

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] adamantane-2-carboxylate Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H34O2 MolecularWeight: 318.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C3CC4CC(C3)CC2C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C2C3CC4CC(C3)CC2C4)C(C)C

InChI

InChI=1S/C21H34O2/c1-12(2)18-5-4-13(3)6-19(18)23-21(22)20-16-8-14-7-15(10-16)11-17(20)9-14/h12-20H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18-,19+,20?/m1/s1