(2S)-2-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(isobutylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(isobutylamino)acetonitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CN[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O2/c1-9(2)7-15-11(6-14)10-3-4-12-13(5-10)17-8-16-12/h3-5,9,11,15H,7-8H2,1-2H3/t11-/m1/s1