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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetonitrile Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-16-5-4-15-11(9-14)10-2-3-12-13(8-10)18-7-6-17-12/h2-3,8,11,15H,4-7H2,1H3/t11-/m1/s1