2-[3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]phenoxy]acetonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=CC(=CC=C2)OCC#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=CC(=CC=C2)OCC#N

InChI

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