2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]acetonitrile CAS Name: 2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]acetonitrile Traditional Name: 2-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]acetonitrile Formula: C27H35N MolecularWeight: 373.5735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C27H35N/c1-2-3-4-5-6-7-22-8-12-24(13-9-22)26-16-18-27(19-17-26)25-14-10-23(11-15-25)20-21-28/h10-11,14-19,22,24H,2-9,12-13,20H2,1H3