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

Systemtic Name: 2-[4-[[(4-acetamidophenyl)amino]methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C23H30BrN3O4 MolecularWeight: 492.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)NC(=O)C)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)NC(=O)C)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H30BrN3O4/c1-6-30-20-12-16(13-25-17-7-9-18(10-8-17)26-15(2)28)11-19(24)22(20)31-14-21(29)27-23(3,4)5/h7-12,25H,6,13-14H2,1-5H3,(H,26,28)(H,27,29)