2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(7-oxidanylheptyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(7-oxidanylheptyl)cyclohexane-1-carbonitrile Openeye Name: 1-(7-hydroxyheptyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-(7-hydroxyheptyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(7-hydroxyheptyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(7-hydroxyheptyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C31H43NO2 MolecularWeight: 461.67862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCO)C#N

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCO)C#N

InChI

InChI=1S/C31H43NO2/c1-3-25(2)23-34-29-18-16-27(17-19-29)26-12-14-28(15-13-26)30-11-7-9-21-31(30,24-32)20-8-5-4-6-10-22-33/h12-19,25,30,33H,3-11,20-23H2,1-2H3