2-[4-[1-[(3-oxidanylcyclohexyl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(3-oxidanylcyclohexyl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-[(3-hydroxycyclohexyl)amino]ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-[(3-hydroxycyclohexyl)amino]ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-[(3-hydroxycyclohexyl)amino]ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-[(3-hydroxycyclohexyl)amino]ethyl]phenoxy]acetonitrile Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC#N)NC2CCCC(C2)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC#N)NC2CCCC(C2)O

InChI

InChI=1S/C16H22N2O2/c1-12(18-14-3-2-4-15(19)11-14)13-5-7-16(8-6-13)20-10-9-17/h5-8,12,14-15,18-19H,2-4,10-11H2,1H3