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

Systemtic Name: 2-[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]phenoxy]butanoic acid Openeye Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)-methyl-amino]phenoxy]butanoic acid CAS Name: 2-[3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]-methylamino]phenoxy]butanoic acid IUPAC Name: 2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid Traditional Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)-methyl-amino]phenoxy]butyric acid Formula: C18H17I3N2O4 MolecularWeight: 706.05199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17I3N2O4/c1-3-13(18(25)26)27-10-6-4-5-9(7-10)23(2)17(24)14-11(19)8-12(20)16(22)15(14)21/h4-8,13H,3,22H2,1-2H3,(H,25,26)