(4-tert-butylcyclohexyl) 2-cyanoethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-cyanoethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-cyanoacetate CAS Name: 2-cyanoacetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-cyanoacetate Traditional Name: 2-cyanoacetic acid (4-tert-butylcyclohexyl) ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CC#N

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CC#N

InChI

InChI=1S/C13H21NO2/c1-13(2,3)10-4-6-11(7-5-10)16-12(15)8-9-14/h10-11H,4-8H2,1-3H3