2-[3-(octan-2-ylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(octan-2-ylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(1-methylheptylamino)phenoxy]acetonitrile CAS Name: 2-[3-(octan-2-ylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(octan-2-ylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(1-methylheptylamino)phenoxy]acetonitrile Formula: C16H24N2O MolecularWeight: 260.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=CC(=CC=C1)OCC#N

Isomeric SMILES

CCCCCCC(C)NC1=CC(=CC=C1)OCC#N

InChI

InChI=1S/C16H24N2O/c1-3-4-5-6-8-14(2)18-15-9-7-10-16(13-15)19-12-11-17/h7,9-10,13-14,18H,3-6,8,12H2,1-2H3