2-[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenoxy]butanoic acid

Systemtic Name: 2-[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenoxy]butanoic acid Openeye Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenoxy]butanoic acid CAS Name: 2-[3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]amino]phenoxy]butanoic acid IUPAC Name: 2-[3-[(3-amino-2,4,6-triiodobenzoyl)amino]phenoxy]butanoic acid Traditional Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenoxy]butyric acid Formula: C17H15I3N2O4 MolecularWeight: 692.02541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC(=C1)NC(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC(=C1)NC(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C17H15I3N2O4/c1-2-12(17(24)25)26-9-5-3-4-8(6-9)22-16(23)13-10(18)7-11(19)15(21)14(13)20/h3-7,12H,2,21H2,1H3,(H,22,23)(H,24,25)