(2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(butylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-5-6-7-17-12(10-16)11-8-13(18-2)15(20-4)14(9-11)19-3/h8-9,12,17H,5-7H2,1-4H3/t12-/m1/s1