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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO2/c1-2-3-4-6-9-24-11-15-26(16-12-24)27-17-19-28(20-18-27)30(32)33-29-21-13-25(14-22-29)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+