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

Systemtic Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzonitrile Formula: C22H27NO MolecularWeight: 321.45588

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO/c1-21(2,3)16-22(4,5)19-10-12-20(13-11-19)24-15-18-9-7-6-8-17(18)14-23/h6-13H,15-16H2,1-5H3