[4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C21H33NO2 MolecularWeight: 331.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)CCC=CC#N

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)CC/C=C/C#N

InChI

InChI=1S/C21H33NO2/c1-2-6-17-8-12-19(13-9-17)21(23)24-20-14-10-18(11-15-20)7-4-3-5-16-22/h3,5,17-20H,2,4,6-15H2,1H3/b5-3+