2-[4-(3-methylbutylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[4-(3-methylbutylamino)phenoxy]ethanenitrile Openeye Name: 2-[4-(isopentylamino)phenoxy]acetonitrile CAS Name: 2-[4-(3-methylbutylamino)phenoxy]acetonitrile IUPAC Name: 2-[4-(3-methylbutylamino)phenoxy]acetonitrile Traditional Name: 2-[4-(isoamylamino)phenoxy]acetonitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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