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

Systemtic Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid [4-(4-amylphenyl)cyclohexyl] ester Formula: C29H41NO2 MolecularWeight: 435.64134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CC/C=C/C#N

InChI

InChI=1S/C29H41NO2/c1-2-3-5-8-23-10-14-25(15-11-23)26-18-20-28(21-19-26)32-29(31)27-16-12-24(13-17-27)9-6-4-7-22-30/h4,7,10-11,14-15,24,26-28H,2-3,5-6,8-9,12-13,16-21H2,1H3/b7-4+