[2-acetyloxy-3-[[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [2-acetoxy-3-[[3-(3-bromo-2-oxo-1-piperidyl)-5-carbamoyl-2,4,6-triiodo-benzoyl]amino]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[[[3-(3-bromo-2-oxo-1-piperidinyl)-5-carbamoyl-2,4,6-triiodophenyl]-oxomethyl]amino]propyl] ester IUPAC Name: [2-acetyloxy-3-[[3-(3-bromo-2-oxopiperidin-1-yl)-5-carbamoyl-2,4,6-triiodobenzoyl]amino]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[[3-(3-bromo-2-keto-piperidino)-5-carbamoyl-2,4,6-triiodo-benzoyl]amino]propyl] ester Formula: C20H21BrI3N3O7 MolecularWeight: 876.01405

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N2CCCC(C2=O)Br)I)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N2CCCC(C2=O)Br)I)OC(=O)C

InChI

InChI=1S/C20H21BrI3N3O7/c1-8(28)33-7-10(34-9(2)29)6-26-19(31)13-14(22)12(18(25)30)15(23)17(16(13)24)27-5-3-4-11(21)20(27)32/h10-11H,3-7H2,1-2H3,(H2,25,30)(H,26,31)