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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)NCCC(C)C

Isomeric SMILES

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

InChI

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