(2S)-2-(3-oxidanylpropylamino)-2-(3-propoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(3-oxidanylpropylamino)-2-(3-propoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(3-hydroxypropylamino)-2-(3-propoxyphenyl)acetonitrile CAS Name: (2S)-2-(3-hydroxypropylamino)-2-(3-propoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(3-hydroxypropylamino)-2-(3-propoxyphenyl)acetonitrile Traditional Name: (2S)-2-(3-hydroxypropylamino)-2-(3-propoxyphenyl)acetonitrile Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(C#N)NCCCO

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@@H](C#N)NCCCO

InChI

InChI=1S/C14H20N2O2/c1-2-9-18-13-6-3-5-12(10-13)14(11-15)16-7-4-8-17/h3,5-6,10,14,16-17H,2,4,7-9H2,1H3/t14-/m1/s1