(2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)ethanenitrile

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)ethanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)acetonitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)acetonitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)acetonitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylamino)acetonitrile Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NCCO)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-16-11-4-3-9(7-12(11)17-2)10(8-13)14-5-6-15/h3-4,7,10,14-15H,5-6H2,1-2H3/t10-/m1/s1