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

Systemtic Name: (2S)-2-(butylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(butylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(butylamino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(butylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(butylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCN[C@H](C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C14H20N2O2/c1-4-5-8-16-12(10-15)11-6-7-13(17-2)14(9-11)18-3/h6-7,9,12,16H,4-5,8H2,1-3H3/t12-/m1/s1