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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-10(2)5-6-16-12(8-15)11-3-4-13-14(7-11)18-9-17-13/h3-4,7,10,12,16H,5-6,9H2,1-2H3/t12-/m1/s1