2-(4,4-dimethyl-1-phenyl-cyclohexyl)ethanenitrile

Systemtic Name: 2-(4,4-dimethyl-1-phenyl-cyclohexyl)ethanenitrile Openeye Name: 2-(4,4-dimethyl-1-phenyl-cyclohexyl)acetonitrile CAS Name: 2-(4,4-dimethyl-1-phenylcyclohexyl)acetonitrile IUPAC Name: 2-(4,4-dimethyl-1-phenylcyclohexyl)acetonitrile Traditional Name: 2-(4,4-dimethyl-1-phenyl-cyclohexyl)acetonitrile Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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