(4-methylcyclohexyl) 2-cyanobutanoate

Systemtic Name: (4-methylcyclohexyl) 2-cyanobutanoate Openeye Name: (4-methylcyclohexyl) 2-cyanobutanoate CAS Name: 2-cyanobutanoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-cyanobutanoate Traditional Name: 2-cyanobutyric acid (4-methylcyclohexyl) ester Formula: C12H19NO2 MolecularWeight: 209.28476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)OC1CCC(CC1)C

Isomeric SMILES

CCC(C#N)C(=O)OC1CCC(CC1)C

InChI

InChI=1S/C12H19NO2/c1-3-10(8-13)12(14)15-11-6-4-9(2)5-7-11/h9-11H,3-7H2,1-2H3