4-[[3,5-bis[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]heptanoic acid

Systemtic Name: 4-[[3,5-bis[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]heptanoic acid Openeye Name: 4-[[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodo-benzoyl]amino]heptanoic acid CAS Name: 4-[[[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 4-[[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]amino]heptanoic acid Traditional Name: 4-[[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodo-benzoyl]amino]enanthic acid Formula: C20H26I3N3O5 MolecularWeight: 769.15095

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)O)NC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)N(C)C(=O)C)I

Isomeric SMILES

CCCC(CCC(=O)O)NC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)N(C)C(=O)C)I

InChI

InChI=1S/C20H26I3N3O5/c1-6-7-12(8-9-13(29)30)24-20(31)14-15(21)18(25(4)10(2)27)17(23)19(16(14)22)26(5)11(3)28/h12H,6-9H2,1-5H3,(H,24,31)(H,29,30)