2-[2-bromanyl-6-ethoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(benzylamino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-[(benzylamino)methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-[(benzylamino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H29BrN2O3/c1-5-27-19-12-17(14-24-13-16-9-7-6-8-10-16)11-18(23)21(19)28-15-20(26)25-22(2,3)4/h6-12,24H,5,13-15H2,1-4H3,(H,25,26)