α-Ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]benzenepropanoic acid

CAS Registry Number®

27293-82-9

CAS Name

α-Ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]benzenepropanoic acid

Molecular Formula

C15H18I3NO3

Molecular Mass

641.02

Cite this Page

α-Ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27293-82-9 (retrieved 2024-11-21) (CAS RN: 27293-82-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-185.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)

InChIKey

InChIKey=YMOXVLQZFAUUKI-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)CC)C1=C(I)C(NC(CCC)=O)=C(I)C=C1I

Canonical SMILES

O=C(O)C(CC=1C(I)=CC(I)=C(NC(=O)CCC)C1I)CC

Other Names for this Substance

  • Benzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-
  • Hydrocinnamic acid, 3-butyramido-α-ethyl-2,4,6-triiodo-
  • α-Ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]benzenepropanoic acid
  • 3-(3-Butyrylamino-2,4,6-triiodophenyl)-2-ethylpropionic acid
  • Tyropanoic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration