3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

CAS Registry Number®

919988-44-6
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CAS Name

3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Molecular Formula

C15H20BrNO4

Molecular Mass

358.23

Cite this Page

3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=919988-44-6 (retrieved 2024-08-19) (CAS RN: 919988-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H20BrNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-5-4-6-11(16)7-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)

InChIKey

InChIKey=MDEDSOKOECEQFP-UHFFFAOYSA-N

SMILES

C(C(NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(Br)=CC=C1

Canonical SMILES

O=C(OC(C)(C)C)NC(CC(=O)O)CC=1C=CC=C(Br)C1

Other Names for this Substance

  • Benzenebutanoic acid, 3-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-
  • 3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid