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

Systemtic Name: 1-butoxy-4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butoxy-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butoxy-4-[4-(4-octylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butoxy-4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butoxy-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile Formula: C31H43NO MolecularWeight: 445.67922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO/c1-3-5-7-8-9-10-11-26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-22-31(25-32,23-21-30)33-24-6-4-2/h12-19,30H,3-11,20-24H2,1-2H3