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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxypropylamino)ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxypropylamino)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxypropylamino)acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxypropylamino)acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxypropylamino)acetonitrile Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-17-6-2-5-16-12(10-15)11-3-4-13-14(9-11)19-8-7-18-13/h3-4,9,12,16H,2,5-8H2,1H3/t12-/m1/s1