[4-[(E)-2-cyanoethenyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyanovinyl]cyclohexyl] 4-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-2-cyanoethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid [4-[(E)-2-cyanovinyl]cyclohexyl] ester Formula: C26H35NO2 MolecularWeight: 393.5616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2/c1-2-3-5-20-7-11-22(12-8-20)23-13-15-24(16-14-23)26(28)29-25-17-9-21(10-18-25)6-4-19-27/h4,6-8,11-12,21,23-25H,2-3,5,9-10,13-18H2,1H3/b6-4+