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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(3-methoxypropylamino)ethanenitrile Openeye Name: (2S)-2-(4-ethylphenyl)-2-(3-methoxypropylamino)acetonitrile CAS Name: (2S)-2-(4-ethylphenyl)-2-(3-methoxypropylamino)acetonitrile IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(3-methoxypropylamino)acetonitrile Traditional Name: (2S)-2-(4-ethylphenyl)-2-(3-methoxypropylamino)acetonitrile Formula: C14H20N2O MolecularWeight: 232.3214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-3-12-5-7-13(8-6-12)14(11-15)16-9-4-10-17-2/h5-8,14,16H,3-4,9-10H2,1-2H3/t14-/m1/s1