(2S)-2-(2,5-dimethoxyphenyl)-2-(3-oxidanylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(2,5-dimethoxyphenyl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(2,5-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile CAS Name: (2S)-2-(2,5-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile IUPAC Name: (2S)-2-(2,5-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile Traditional Name: (2S)-2-(2,5-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-17-10-4-5-13(18-2)11(8-10)12(9-14)15-6-3-7-16/h4-5,8,12,15-16H,3,6-7H2,1-2H3/t12-/m1/s1