2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]acetonitrile CAS Name: 2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[[(3-methylcyclohexyl)amino]methyl]phenoxy]acetonitrile Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NCC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC1CCCC(C1)NCC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C16H22N2O/c1-13-3-2-4-15(11-13)18-12-14-5-7-16(8-6-14)19-10-9-17/h5-8,13,15,18H,2-4,10-12H2,1H3