2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]pentanenitrile

Systemtic Name: 2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]pentanenitrile Openeye Name: 2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]pentanenitrile CAS Name: 2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]pentanenitrile IUPAC Name: 2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]pentanenitrile Traditional Name: 2-[4-[4-(4-octylphenyl)phenyl]cyclohexyl]valeronitrile Formula: C31H43N MolecularWeight: 429.67982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C(CCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C(CCC)C#N

InChI

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