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

Systemtic Name: 2-[3-[butanoyl(propyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[butanoyl(propyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[2,4,6-triiodo-3-[1-oxobutyl(propyl)amino]phenyl]acetic acid IUPAC Name: 2-[3-[butanoyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[butyryl(propyl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C15H18I3NO3 MolecularWeight: 641.02173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO3/c1-3-5-12(20)19(6-4-2)15-11(17)8-10(16)9(14(15)18)7-13(21)22/h8H,3-7H2,1-2H3,(H,21,22)