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

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]-4-pentyl-cyclohexane-1-carbonitrile Openeye Name: 1-[4-(4-octylphenyl)phenyl]-4-pentyl-cyclohexanecarbonitrile CAS Name: 1-[4-(4-octylphenyl)phenyl]-4-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 1-[4-(4-octylphenyl)phenyl]-4-pentylcyclohexane-1-carbonitrile Traditional Name: 4-amyl-1-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile Formula: C32H45N MolecularWeight: 443.7064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C32H45N/c1-3-5-7-8-9-11-13-27-14-16-29(17-15-27)30-18-20-31(21-19-30)32(26-33)24-22-28(23-25-32)12-10-6-4-2/h14-21,28H,3-13,22-25H2,1-2H3