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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(3-methylbutylamino)ethanenitrile Openeye Name: (2S)-2-(4-ethylphenyl)-2-(isopentylamino)acetonitrile CAS Name: (2S)-2-(4-ethylphenyl)-2-(3-methylbutylamino)acetonitrile IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(3-methylbutylamino)acetonitrile Traditional Name: (2S)-2-(4-ethylphenyl)-2-(isoamylamino)acetonitrile Formula: C15H22N2 MolecularWeight: 230.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2/c1-4-13-5-7-14(8-6-13)15(11-16)17-10-9-12(2)3/h5-8,12,15,17H,4,9-10H2,1-3H3/t15-/m1/s1