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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(pentylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(pentylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(pentylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(pentylamino)acetonitrile Traditional Name: (2S)-2-(amylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-2-3-4-7-16-12(9-15)11-5-6-13-14(8-11)18-10-17-13/h5-6,8,12,16H,2-4,7,10H2,1H3/t12-/m1/s1