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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C#N

InChI

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