2-[3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]phenoxy]acetonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC2=CC(=CC=C2)OCC#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC2=CC(=CC=C2)OCC#N)O

InChI

InChI=1S/C17H18N2O2/c1-12-6-7-16(17(20)10-12)13(2)19-14-4-3-5-15(11-14)21-9-8-18/h3-7,10-11,13,19-20H,9H2,1-2H3