(phenylmethyl) 2-cyano-2-cyclohexyl-ethanoate

Systemtic Name: (phenylmethyl) 2-cyano-2-cyclohexyl-ethanoate Openeye Name: benzyl 2-cyano-2-cyclohexyl-acetate CAS Name: 2-cyano-2-cyclohexylacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2-cyclohexylacetate Traditional Name: 2-cyano-2-cyclohexyl-acetic acid benzyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(C#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c17-11-15(14-9-5-2-6-10-14)16(18)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-10,12H2