(2S)-2-(butylamino)-2-(2-methoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(butylamino)-2-(2-methoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(butylamino)-2-(2-methoxyphenyl)acetonitrile CAS Name: (2S)-2-(butylamino)-2-(2-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(butylamino)-2-(2-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-(butylamino)-2-(2-methoxyphenyl)acetonitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC=CC=C1OC

Isomeric SMILES

CCCCN[C@H](C#N)C1=CC=CC=C1OC

InChI

InChI=1S/C13H18N2O/c1-3-4-9-15-12(10-14)11-7-5-6-8-13(11)16-2/h5-8,12,15H,3-4,9H2,1-2H3/t12-/m1/s1