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

Systemtic Name: (2S)-2-(3-methylbutylamino)-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(isopentylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(3-methylbutylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(3-methylbutylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(isoamylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-11(2)6-7-18-13(10-17)12-8-14(19-3)16(21-5)15(9-12)20-4/h8-9,11,13,18H,6-7H2,1-5H3/t13-/m1/s1