2-[[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzonitrile Formula: C22H26BrNO MolecularWeight: 400.35194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2C#N)Br

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2C#N)Br

InChI

InChI=1S/C22H26BrNO/c1-21(2,3)15-22(4,5)18-10-11-20(19(23)12-18)25-14-17-9-7-6-8-16(17)13-24/h6-12H,14-15H2,1-5H3