(2R,3R)-4,4-dimethyl-2-(4-methylphenyl)-3-oxidanyl-pentanenitrile

Systemtic Name: (2R,3R)-4,4-dimethyl-2-(4-methylphenyl)-3-oxidanyl-pentanenitrile Openeye Name: (2R,3R)-3-hydroxy-4,4-dimethyl-2-(p-tolyl)pentanenitrile CAS Name: (2R,3R)-3-hydroxy-4,4-dimethyl-2-(4-methylphenyl)pentanenitrile IUPAC Name: (2R,3R)-3-hydroxy-4,4-dimethyl-2-(4-methylphenyl)pentanenitrile Traditional Name: (2R,3R)-3-hydroxy-4,4-dimethyl-2-(p-tolyl)valeronitrile Formula: C14H19NO MolecularWeight: 217.30676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)C(C(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C#N)[C@H](C(C)(C)C)O

InChI

InChI=1S/C14H19NO/c1-10-5-7-11(8-6-10)12(9-15)13(16)14(2,3)4/h5-8,12-13,16H,1-4H3/t12-,13+/m0/s1