2-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[(4-bromo-2-tert-butyl-phenoxy)methyl]benzonitrile CAS Name: 2-[(4-bromo-2-tert-butylphenoxy)methyl]benzonitrile IUPAC Name: 2-[(4-bromo-2-tert-butylphenoxy)methyl]benzonitrile Traditional Name: 2-[(4-bromo-2-tert-butyl-phenoxy)methyl]benzonitrile Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO/c1-18(2,3)16-10-15(19)8-9-17(16)21-12-14-7-5-4-6-13(14)11-20/h4-10H,12H2,1-3H3