3-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzonitrile CAS Name: 3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]benzonitrile IUPAC Name: 3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]benzonitrile Traditional Name: 3-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzonitrile Formula: C17H16BrNO MolecularWeight: 330.21904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC(=C2)C#N)C)CBr

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC(=C2)C#N)C)CBr

InChI

InChI=1S/C17H16BrNO/c1-12-6-16(9-18)7-13(2)17(12)20-11-15-5-3-4-14(8-15)10-19/h3-8H,9,11H2,1-2H3