[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-propylphenyl)-1-cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylphenyl)cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C29H39NO2 MolecularWeight: 433.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC=CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C=C/C#N

InChI

InChI=1S/C29H39NO2/c1-2-8-23-10-14-25(15-11-23)26-16-18-27(19-17-26)29(31)32-28-20-12-24(13-21-28)9-6-4-3-5-7-22-30/h3-5,7,10-11,14-15,24,26-28H,2,6,8-9,12-13,16-21H2,1H3/b4-3+,7-5+