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

Systemtic Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyanovinyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-hexylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-2-cyanoethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-hexylphenyl)cyclohexanecarboxylic acid [4-[(E)-2-cyanovinyl]cyclohexyl] ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)C=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)/C=C/C#N

InChI

InChI=1S/C28H39NO2/c1-2-3-4-5-7-22-9-13-24(14-10-22)25-15-17-26(18-16-25)28(30)31-27-19-11-23(12-20-27)8-6-21-29/h6,8-10,13-14,23,25-27H,2-5,7,11-12,15-20H2,1H3/b8-6+