2-(3,3-dimethyl-1-phenyl-cyclohexyl)ethanenitrile

Systemtic Name: 2-(3,3-dimethyl-1-phenyl-cyclohexyl)ethanenitrile Openeye Name: 2-(3,3-dimethyl-1-phenyl-cyclohexyl)acetonitrile CAS Name: 2-(3,3-dimethyl-1-phenylcyclohexyl)acetonitrile IUPAC Name: 2-(3,3-dimethyl-1-phenylcyclohexyl)acetonitrile Traditional Name: 2-(3,3-dimethyl-1-phenyl-cyclohexyl)acetonitrile Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CCCC(C1)(CC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C16H21N/c1-15(2)9-6-10-16(13-15,11-12-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11,13H2,1-2H3