2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(9-oxidanylnonyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(9-oxidanylnonyl)cyclohexane-1-carbonitrile Openeye Name: 1-(9-hydroxynonyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-(9-hydroxynonyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(9-hydroxynonyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(9-hydroxynonyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C33H47NO2 MolecularWeight: 489.73178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO2/c1-3-27(2)25-36-31-20-18-29(19-21-31)28-14-16-30(17-15-28)32-13-9-11-23-33(32,26-34)22-10-7-5-4-6-8-12-24-35/h14-21,27,32,35H,3-13,22-25H2,1-2H3