2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]acetonitrile CAS Name: 2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]acetonitrile Traditional Name: 2-[3-[(2,6-dimethylcyclohexyl)amino]phenoxy]acetonitrile Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC2=CC(=CC=C2)OCC#N)C

Isomeric SMILES

CC1CCCC(C1NC2=CC(=CC=C2)OCC#N)C

InChI

InChI=1S/C16H22N2O/c1-12-5-3-6-13(2)16(12)18-14-7-4-8-15(11-14)19-10-9-17/h4,7-8,11-13,16,18H,3,5-6,10H2,1-2H3