(2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanenitrile

Systemtic Name: (2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanenitrile Openeye Name: (2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanenitrile CAS Name: (2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanenitrile IUPAC Name: (2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanenitrile Traditional Name: (2S)-2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propionitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(CN)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](CN)C#N)OC

InChI

InChI=1S/C12H16N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-4,6,10H,5,7,13H2,1-2H3/t10-/m0/s1