2-[3-[[(2,4-dimethyl-3-oxidanyl-phenyl)amino]methyl]phenoxy]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NCC2=CC(=CC=C2)OCC#N)C)O

Isomeric SMILES

CC1=C(C(=C(C=C1)NCC2=CC(=CC=C2)OCC#N)C)O

InChI

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