(2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanenitrile

Systemtic Name: (2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanenitrile Openeye Name: (2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile CAS Name: (2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile IUPAC Name: (2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile Traditional Name: (2S)-2-(butylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile Formula: C14H18N2O2 MolecularWeight: 246.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCN[C@H](C#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H18N2O2/c1-2-3-6-16-12(10-15)11-4-5-13-14(9-11)18-8-7-17-13/h4-5,9,12,16H,2-3,6-8H2,1H3/t12-/m1/s1