2-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]benzonitrile CAS Name: 2-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]benzonitrile IUPAC Name: 2-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]benzonitrile Traditional Name: 2-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]benzonitrile Formula: C20H22BrNO MolecularWeight: 372.29878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2C#N)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2C#N)C(C)(C)C

InChI

InChI=1S/C20H22BrNO/c1-5-14-10-17(20(2,3)4)19(18(21)11-14)23-13-16-9-7-6-8-15(16)12-22/h6-11H,5,13H2,1-4H3