4-[4-(4-butoxyphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)C#N

InChI

InChI=1S/C31H43NO/c1-3-5-7-8-9-10-21-31(25-32)22-19-29(20-23-31)27-13-11-26(12-14-27)28-15-17-30(18-16-28)33-24-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3