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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-2-3-6-15-11(8-14)10-4-5-12-13(7-10)17-9-16-12/h4-5,7,11,15H,2-3,6,9H2,1H3/t11-/m1/s1