(2S)-2-(3-methylbutylamino)-2-(4-methylphenyl)ethanenitrile

Systemtic Name: (2S)-2-(3-methylbutylamino)-2-(4-methylphenyl)ethanenitrile Openeye Name: (2S)-2-(isopentylamino)-2-(p-tolyl)acetonitrile CAS Name: (2S)-2-(3-methylbutylamino)-2-(4-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(3-methylbutylamino)-2-(4-methylphenyl)acetonitrile Traditional Name: (2S)-2-(isoamylamino)-2-(p-tolyl)acetonitrile Formula: C14H20N2 MolecularWeight: 216.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2/c1-11(2)8-9-16-14(10-15)13-6-4-12(3)5-7-13/h4-7,11,14,16H,8-9H2,1-3H3/t14-/m1/s1