(phenylmethyl) 2-(1-cyanocyclohexyl)ethanoate

Systemtic Name: (phenylmethyl) 2-(1-cyanocyclohexyl)ethanoate Openeye Name: benzyl 2-(1-cyanocyclohexyl)acetate CAS Name: 2-(1-cyanocyclohexyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-cyanocyclohexyl)acetate Traditional Name: 2-(1-cyanocyclohexyl)acetic acid benzyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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