4-[[3-(bromomethyl)-5-phenylmethoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(bromomethyl)-5-phenylmethoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[3-benzyloxy-5-(bromomethyl)phenoxy]methyl]benzonitrile CAS Name: 4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile IUPAC Name: 4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile Traditional Name: 4-[[3-benzoxy-5-(bromomethyl)phenoxy]methyl]benzonitrile Formula: C22H18BrNO2 MolecularWeight: 408.28782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18BrNO2/c23-13-20-10-21(25-15-18-4-2-1-3-5-18)12-22(11-20)26-16-19-8-6-17(14-24)7-9-19/h1-12H,13,15-16H2