(2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methylamino]ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methylamino]ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methylamino]acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methylamino]acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methylamino]acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(p-anisylamino)acetonitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-20-14-5-2-12(3-6-14)10-19-15(9-18)13-4-7-16-17(8-13)22-11-21-16/h2-8,15,19H,10-11H2,1H3/t15-/m1/s1