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

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C28H39NO2 MolecularWeight: 421.61476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C#N

InChI

InChI=1S/C28H39NO2/c1-2-3-7-22-9-13-24(14-10-22)25-15-17-26(18-16-25)28(30)31-27-19-11-23(12-20-27)8-5-4-6-21-29/h4,6,9-10,13-14,23,25-27H,2-3,5,7-8,11-12,15-20H2,1H3/b6-4+