(2S)-2-(propan-2-ylamino)-2-(3-propoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(propan-2-ylamino)-2-(3-propoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(isopropylamino)-2-(3-propoxyphenyl)acetonitrile CAS Name: (2S)-2-(propan-2-ylamino)-2-(3-propoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(propan-2-ylamino)-2-(3-propoxyphenyl)acetonitrile Traditional Name: (2S)-2-(isopropylamino)-2-(3-propoxyphenyl)acetonitrile Formula: C14H20N2O MolecularWeight: 232.3214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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