3-[2-Carboxyethyl-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-iodophenyl]amino]propanoic acid
[CAS# 4927-37-1]

Identification

• Name: 3-[2-Carboxyethyl-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-iodophenyl]amino]propanoic acid
• Synonyms: 3-[2-Carboxyethyl-[4-(2-Cyano-3-Ethoxy-3-Oxoprop-1-Enyl)-2-Iodophenyl]Amino]Propanoic Acid; 3-[2-Carboxyethyl-[4-[(E)-2-Cyano-3-Ethoxy-3-Oxo-Prop-1-Enyl]-2-Iodo-Phenyl]Amino]Propanoic Acid; 3-[2-Carboxyethyl-[4-(2-Cyano-3-Ethoxy-3-Oxo-Prop-1-Enyl)-2-Iodo-Phenyl]Amino]Propanoic Acid
• Molecular Formula: C₁₈H₁₉IN₂O₆
• Molecular Weight: 486.26
• CAS Registry Number: 4927-37-1
• SMILES: C1=C(/C=C(/C(OCC)=O)C#N)C=CC(=C1I)N(CCC(O)=O)CCC(O)=O
• InChI: 1S/C18H19IN2O6/c1-2-27-18(26)13(11-20)9-12-3-4-15(14(19)10-12)21(7-5-16(22)23)8-6-17(24)25/h3-4,9-10H,2,5-8H2,1H3,(H,22,23)(H,24,25)/b13-9+
• InChIKey: RFYOFBUDCPMYBQ-UKTHLTGXSA-N