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

Systemtic Name: 2-[3-[[3-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]phenoxy]butanoic acid Openeye Name: 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]phenoxy]butanoic acid CAS Name: 2-[3-[[[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-methylamino]phenoxy]butanoic acid IUPAC Name: 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-methylamino]phenoxy]butanoic acid Traditional Name: 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]phenoxy]butyric acid Formula: C22H23I3N2O5 MolecularWeight: 776.14183

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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(CC)C(=O)C)I

Isomeric SMILES

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

InChI

InChI=1S/C22H23I3N2O5/c1-5-17(22(30)31)32-14-9-7-8-13(10-14)26(4)21(29)18-15(23)11-16(24)20(19(18)25)27(6-2)12(3)28/h7-11,17H,5-6H2,1-4H3,(H,30,31)