(2S)-2-(3-oxidanylpropylamino)-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(3-oxidanylpropylamino)-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(3-hydroxypropylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(3-hydroxypropylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(3-hydroxypropylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(3-hydroxypropylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)NCCCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](C#N)NCCCO

InChI

InChI=1S/C14H20N2O4/c1-18-12-7-10(8-13(19-2)14(12)20-3)11(9-15)16-5-4-6-17/h7-8,11,16-17H,4-6H2,1-3H3/t11-/m1/s1