(2S)-2-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]ethanenitrile

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)amino]acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2/c1-20-16-9-8-14(10-17(16)21-2)15(11-18)19-12-13-6-4-3-5-7-13/h3-10,15,19H,12H2,1-2H3/t15-/m1/s1