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

Systemtic Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenoxy]hexanoic acid Openeye Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid CAS Name: 2-[3-[ethyl(1-oxobutyl)amino]-2,4,6-triiodophenoxy]hexanoic acid IUPAC Name: 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodophenoxy]hexanoic acid Traditional Name: 2-[3-[butyryl(ethyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid Formula: C18H24I3NO4 MolecularWeight: 699.10087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CC)C(=O)CCC)I)I

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CC)C(=O)CCC)I)I

InChI

InChI=1S/C18H24I3NO4/c1-4-7-9-13(18(24)25)26-17-12(20)10-11(19)16(15(17)21)22(6-3)14(23)8-5-2/h10,13H,4-9H2,1-3H3,(H,24,25)