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

Systemtic Name: (2S)-2-(butylamino)-2-(3-methylphenyl)ethanenitrile Openeye Name: (2S)-2-(butylamino)-2-(m-tolyl)acetonitrile CAS Name: (2S)-2-(butylamino)-2-(3-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(butylamino)-2-(3-methylphenyl)acetonitrile Traditional Name: (2S)-2-(butylamino)-2-(m-tolyl)acetonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC=CC(=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-3-4-8-15-13(10-14)12-7-5-6-11(2)9-12/h5-7,9,13,15H,3-4,8H2,1-2H3/t13-/m1/s1