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

Systemtic Name: 4-[4-(4-heptylphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptylphenyl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptylphenyl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptylphenyl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(4-heptylphenyl)phenyl]cyclohexanecarbonitrile Formula: C31H43N MolecularWeight: 429.67982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C31H43N/c1-3-5-7-8-9-11-26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-23-31(25-32,24-21-30)22-10-6-4-2/h12-19,30H,3-11,20-24H2,1-2H3