(2,4,6-trimethylcyclohexyl) 2-cyanoethanoate

Systemtic Name: (2,4,6-trimethylcyclohexyl) 2-cyanoethanoate Openeye Name: (2,4,6-trimethylcyclohexyl) 2-cyanoacetate CAS Name: 2-cyanoacetic acid (2,4,6-trimethylcyclohexyl) ester IUPAC Name: (2,4,6-trimethylcyclohexyl) 2-cyanoacetate Traditional Name: 2-cyanoacetic acid (2,4,6-trimethylcyclohexyl) ester Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C)OC(=O)CC#N)C

Isomeric SMILES

CC1CC(C(C(C1)C)OC(=O)CC#N)C

InChI

InChI=1S/C12H19NO2/c1-8-6-9(2)12(10(3)7-8)15-11(14)4-5-13/h8-10,12H,4,6-7H2,1-3H3