3-[(1S,2R,4S)-4-tert-butyl-2-methyl-cyclohexyl]propanenitrile

Systemtic Name: 3-[(1S,2R,4S)-4-tert-butyl-2-methyl-cyclohexyl]propanenitrile Openeye Name: 3-[(1S,2R,4S)-4-tert-butyl-2-methyl-cyclohexyl]propanenitrile CAS Name: 3-[(1S,2R,4S)-4-tert-butyl-2-methylcyclohexyl]propanenitrile IUPAC Name: 3-[(1S,2R,4S)-4-tert-butyl-2-methylcyclohexyl]propanenitrile Traditional Name: 3-[(1S,2R,4S)-4-tert-butyl-2-methyl-cyclohexyl]propionitrile Formula: C14H25N MolecularWeight: 207.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1CCC#N)C(C)(C)C

Isomeric SMILES

C[C@@H]1C[C@H](CC[C@H]1CCC#N)C(C)(C)C

InChI

InChI=1S/C14H25N/c1-11-10-13(14(2,3)4)8-7-12(11)6-5-9-15/h11-13H,5-8,10H2,1-4H3/t11-,12-,13+/m1/s1