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

Systemtic Name: (2S)-2-(3-methylphenyl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(3-hydroxypropylamino)-2-(m-tolyl)acetonitrile CAS Name: (2S)-2-(3-hydroxypropylamino)-2-(3-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(3-hydroxypropylamino)-2-(3-methylphenyl)acetonitrile Traditional Name: (2S)-2-(3-hydroxypropylamino)-2-(m-tolyl)acetonitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O/c1-10-4-2-5-11(8-10)12(9-13)14-6-3-7-15/h2,4-5,8,12,14-15H,3,6-7H2,1H3/t12-/m1/s1