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

Systemtic Name: 2-[4-(4-octan-2-ylcyclohexyl)phenyl]ethanenitrile Openeye Name: 2-[4-[4-(1-methylheptyl)cyclohexyl]phenyl]acetonitrile CAS Name: 2-[4-(4-octan-2-ylcyclohexyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-octan-2-ylcyclohexyl)phenyl]acetonitrile Traditional Name: 2-[4-[4-(1-methylheptyl)cyclohexyl]phenyl]acetonitrile Formula: C22H33N MolecularWeight: 311.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N/c1-3-4-5-6-7-18(2)20-12-14-22(15-13-20)21-10-8-19(9-11-21)16-17-23/h8-11,18,20,22H,3-7,12-16H2,1-2H3