[4-(4-butylphenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate

Systemtic Name: [4-(4-butylphenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-butylphenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid [4-(4-butylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-butylphenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylic acid [4-(4-butylphenyl)cyclohexyl] ester Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)C=CC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)/C=C/C=C/C#N

InChI

InChI=1S/C28H37NO2/c1-2-3-7-22-9-13-24(14-10-22)25-17-19-27(20-18-25)31-28(30)26-15-11-23(12-16-26)8-5-4-6-21-29/h4-6,8-10,13-14,23,25-27H,2-3,7,11-12,15-20H2,1H3/b6-4+,8-5+