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

Systemtic Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CC/C=C/C#N

InChI

InChI=1S/C30H43NO2/c1-2-3-4-6-9-24-11-15-26(16-12-24)27-19-21-29(22-20-27)33-30(32)28-17-13-25(14-18-28)10-7-5-8-23-31/h5,8,11-12,15-16,25,27-29H,2-4,6-7,9-10,13-14,17-22H2,1H3/b8-5+