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

Systemtic Name: 1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-octyl-4-[4-(4-pentoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile Formula: C32H45NO MolecularWeight: 459.7058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45NO/c1-3-5-7-8-9-10-22-32(26-33)23-20-30(21-24-32)28-14-12-27(13-15-28)29-16-18-31(19-17-29)34-25-11-6-4-2/h12-19,30H,3-11,20-25H2,1-2H3