2-[3-[butanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[3-[ethyl(1-oxobutyl)amino]-2,4,6-triiodophenyl]acetic acid IUPAC Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[butyryl(ethyl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C14H16I3NO3 MolecularWeight: 626.99515

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC)C1=C(C=C(C(=C1I)CC(=O)O)I)I

Isomeric SMILES

CCCC(=O)N(CC)C1=C(C=C(C(=C1I)CC(=O)O)I)I

InChI

InChI=1S/C14H16I3NO3/c1-3-5-11(19)18(4-2)14-10(16)7-9(15)8(13(14)17)6-12(20)21/h7H,3-6H2,1-2H3,(H,20,21)