(2S)-2-(3-methylphenyl)-2-(pentylamino)ethanenitrile

Systemtic Name: (2S)-2-(3-methylphenyl)-2-(pentylamino)ethanenitrile Openeye Name: (2S)-2-(m-tolyl)-2-(pentylamino)acetonitrile CAS Name: (2S)-2-(3-methylphenyl)-2-(pentylamino)acetonitrile IUPAC Name: (2S)-2-(3-methylphenyl)-2-(pentylamino)acetonitrile Traditional Name: (2S)-2-(amylamino)-2-(m-tolyl)acetonitrile Formula: C14H20N2 MolecularWeight: 216.322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2/c1-3-4-5-9-16-14(11-15)13-8-6-7-12(2)10-13/h6-8,10,14,16H,3-5,9H2,1-2H3/t14-/m1/s1