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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-2-(4-methylphenyl)ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-cyano-2-(p-tolyl)acetate CAS Name: 2-cyano-2-(4-methylphenyl)acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-cyano-2-(4-methylphenyl)acetate Traditional Name: 2-cyano-2-(p-tolyl)acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H27NO2 MolecularWeight: 313.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-13(2)17-10-7-15(4)11-19(17)23-20(22)18(12-21)16-8-5-14(3)6-9-16/h5-6,8-9,13,15,17-19H,7,10-11H2,1-4H3/t15-,17+,18?,19-/m1/s1