(2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)ethanenitrile

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)ethanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)acetonitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)acetonitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)acetonitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(phenethylamino)acetonitrile Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H20N2O2/c1-21-17-9-8-15(12-18(17)22-2)16(13-19)20-11-10-14-6-4-3-5-7-14/h3-9,12,16,20H,10-11H2,1-2H3/t16-/m1/s1