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

Systemtic Name: 2-[3-[butanoyl(butyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[butanoyl(butyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[3-[butyl(1-oxobutyl)amino]-2,4,6-triiodophenyl]acetic acid IUPAC Name: 2-[3-[butanoyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[butyl(butyryl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C16H20I3NO3 MolecularWeight: 655.04831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20I3NO3/c1-3-5-7-20(13(21)6-4-2)16-12(18)9-11(17)10(15(16)19)8-14(22)23/h9H,3-8H2,1-2H3,(H,22,23)