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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-5-6-7-8-18-13(11-17)12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13,18H,5-8H2,1-4H3/t13-/m1/s1