(2S)-2-(4-ethylphenyl)-2-(3-oxidanylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(4-ethylphenyl)-2-(3-hydroxypropylamino)acetonitrile CAS Name: (2S)-2-(4-ethylphenyl)-2-(3-hydroxypropylamino)acetonitrile IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(3-hydroxypropylamino)acetonitrile Traditional Name: (2S)-2-(4-ethylphenyl)-2-(3-hydroxypropylamino)acetonitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)NCCCO

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C#N)NCCCO

InChI

InChI=1S/C13H18N2O/c1-2-11-4-6-12(7-5-11)13(10-14)15-8-3-9-16/h4-7,13,15-16H,2-3,8-9H2,1H3/t13-/m1/s1