[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-5-methyl-hexanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-5-methyl-hexanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-cyano-5-methyl-hexanoate CAS Name: 2-cyano-5-methylhexanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-cyano-5-methylhexanoate Traditional Name: 2-cyano-5-methyl-hexanoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H31NO2 MolecularWeight: 293.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CCC(C)C)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CCC(C)C)C#N)C(C)C

InChI

InChI=1S/C18H31NO2/c1-12(2)6-8-15(11-19)18(20)21-17-10-14(5)7-9-16(17)13(3)4/h12-17H,6-10H2,1-5H3/t14-,15?,16+,17-/m1/s1