2-[4-[4-(4-octan-2-ylcyclohexyl)phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(4-octan-2-ylcyclohexyl)phenyl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-[4-(1-methylheptyl)cyclohexyl]phenyl]phenyl]acetonitrile CAS Name: 2-[4-[4-(4-octan-2-ylcyclohexyl)phenyl]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-octan-2-ylcyclohexyl)phenyl]phenyl]acetonitrile Traditional Name: 2-[4-[4-[4-(1-methylheptyl)cyclohexyl]phenyl]phenyl]acetonitrile Formula: C28H37N MolecularWeight: 387.60008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C28H37N/c1-3-4-5-6-7-22(2)24-12-14-26(15-13-24)28-18-16-27(17-19-28)25-10-8-23(9-11-25)20-21-29/h8-11,16-19,22,24,26H,3-7,12-15,20H2,1-2H3