(E)-5-[4-[[4-(4-heptylphenyl)cyclohexyl]oxymethyl]cyclohexyl]pent-2-enenitrile

Systemtic Name: (E)-5-[4-[[4-(4-heptylphenyl)cyclohexyl]oxymethyl]cyclohexyl]pent-2-enenitrile Openeye Name: (E)-5-[4-[[4-(4-heptylphenyl)cyclohexoxy]methyl]cyclohexyl]pent-2-enenitrile CAS Name: (E)-5-[4-[[4-(4-heptylphenyl)cyclohexyl]oxymethyl]cyclohexyl]-2-pentenenitrile IUPAC Name: (E)-5-[4-[[4-(4-heptylphenyl)cyclohexyl]oxymethyl]cyclohexyl]pent-2-enenitrile Traditional Name: (E)-5-[4-[[4-(4-heptylphenyl)cyclohexoxy]methyl]cyclohexyl]pent-2-enenitrile Formula: C31H47NO MolecularWeight: 449.71098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)OCC3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)OCC3CCC(CC3)CC/C=C/C#N

InChI

InChI=1S/C31H47NO/c1-2-3-4-5-7-10-27-16-18-29(19-17-27)30-20-22-31(23-21-30)33-25-28-14-12-26(13-15-28)11-8-6-9-24-32/h6,9,16-19,26,28,30-31H,2-5,7-8,10-15,20-23,25H2,1H3/b9-6+