(2S)-2-(2-ethoxyphenyl)-2-(3-methylbutylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-ethoxyphenyl)-2-(3-methylbutylamino)ethanenitrile Openeye Name: (2S)-2-(2-ethoxyphenyl)-2-(isopentylamino)acetonitrile CAS Name: (2S)-2-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetonitrile IUPAC Name: (2S)-2-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetonitrile Traditional Name: (2S)-2-(isoamylamino)-2-o-phenetyl-acetonitrile Formula: C15H22N2O MolecularWeight: 246.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C#N)NCCC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H](C#N)NCCC(C)C

InChI

InChI=1S/C15H22N2O/c1-4-18-15-8-6-5-7-13(15)14(11-16)17-10-9-12(2)3/h5-8,12,14,17H,4,9-10H2,1-3H3/t14-/m1/s1