(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methoxyphenyl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-(2-methoxyphenyl)-2-(piperonylamino)acetonitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1[C@@H](C#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O3/c1-20-15-5-3-2-4-13(15)14(9-18)19-10-12-6-7-16-17(8-12)22-11-21-16/h2-8,14,19H,10-11H2,1H3/t14-/m1/s1