(2S)-2-(2,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]ethanenitrile

Systemtic Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(2,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(2,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(2,4-dimethoxyphenyl)acetonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C#N)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H](C#N)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18N2O2/c1-20-14-8-9-15(17(10-14)21-2)16(11-18)19-12-13-6-4-3-5-7-13/h3-10,16,19H,12H2,1-2H3/t16-/m1/s1