2-(2-bromanyl-4-tert-butyl-phenoxy)-N-(2-cyanoethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-N-(2-cyanoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(2-bromo-4-tert-butyl-phenoxy)-N-(2-cyanoethyl)acetamide CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanoethyl)acetamide Traditional Name: N-benzyl-2-(2-bromo-4-tert-butyl-phenoxy)-N-(2-cyanoethyl)acetamide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N(CCC#N)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N(CCC#N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C22H25BrN2O2/c1-22(2,3)18-10-11-20(19(23)14-18)27-16-21(26)25(13-7-12-24)15-17-8-5-4-6-9-17/h4-6,8-11,14H,7,13,15-16H2,1-3H3