2-[3-(3-methylbutylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(3-methylbutylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(isopentylamino)phenoxy]acetonitrile CAS Name: 2-[3-(3-methylbutylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(3-methylbutylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(isoamylamino)phenoxy]acetonitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC(=CC=C1)OCC#N

Isomeric SMILES

CC(C)CCNC1=CC(=CC=C1)OCC#N

InChI

InChI=1S/C13H18N2O/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11,15H,6,8-9H2,1-2H3