2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]acetonitrile CAS Name: 2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]acetonitrile Traditional Name: 2-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]acetonitrile Formula: C19H27N MolecularWeight: 269.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C19H27N/c1-3-15(2)14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)12-13-20/h4-5,8-9,15,17,19H,3,6-7,10-12,14H2,1-2H3