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

Systemtic Name: (2S)-2-(cyclohexylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(cyclohexylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(cyclohexylamino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(cyclohexylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(cyclohexylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NC2CCCCC2)OC

InChI

InChI=1S/C16H22N2O2/c1-19-15-9-8-12(10-16(15)20-2)14(11-17)18-13-6-4-3-5-7-13/h8-10,13-14,18H,3-7H2,1-2H3/t14-/m1/s1