[4-(4-ethylcyclohexyl)cyclohexyl] 4-cyanobenzoate

Systemtic Name: [4-(4-ethylcyclohexyl)cyclohexyl] 4-cyanobenzoate Openeye Name: [4-(4-ethylcyclohexyl)cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-ethylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-ethylcyclohexyl)cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-ethylcyclohexyl)cyclohexyl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H29NO2/c1-2-16-3-7-18(8-4-16)19-11-13-21(14-12-19)25-22(24)20-9-5-17(15-23)6-10-20/h5-6,9-10,16,18-19,21H,2-4,7-8,11-14H2,1H3