4-[4-(4-octoxyphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-octoxyphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-octoxyphenyl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-octoxyphenyl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-octoxyphenyl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C32H45NO MolecularWeight: 459.7058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C32H45NO/c1-3-5-7-8-9-11-25-34-31-18-16-29(17-19-31)27-12-14-28(15-13-27)30-20-23-32(26-33,24-21-30)22-10-6-4-2/h12-19,30H,3-11,20-25H2,1-2H3