(4-cyano-4-pentyl-cyclohexyl) 4-propoxybenzoate

Systemtic Name: (4-cyano-4-pentyl-cyclohexyl) 4-propoxybenzoate Openeye Name: (4-cyano-4-pentyl-cyclohexyl) 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (4-cyano-4-pentylcyclohexyl) ester IUPAC Name: (4-cyano-4-pentylcyclohexyl) 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-amyl-4-cyano-cyclohexyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCC)C#N

InChI

InChI=1S/C22H31NO3/c1-3-5-6-13-22(17-23)14-11-20(12-15-22)26-21(24)18-7-9-19(10-8-18)25-16-4-2/h7-10,20H,3-6,11-16H2,1-2H3