[[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]methyl ethanoate

Systemtic Name: [[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]methyl ethanoate Openeye Name: [[3-(3-bromo-2-oxo-1-piperidyl)-5-carbamoyl-2,4,6-triiodo-benzoyl]-ethyl-amino]methyl acetate CAS Name: acetic acid [[[3-(3-bromo-2-oxo-1-piperidinyl)-5-carbamoyl-2,4,6-triiodophenyl]-oxomethyl]-ethylamino]methyl ester IUPAC Name: [[3-(3-bromo-2-oxopiperidin-1-yl)-5-carbamoyl-2,4,6-triiodobenzoyl]-ethylamino]methyl acetate Traditional Name: acetic acid [[3-(3-bromo-2-keto-piperidino)-5-carbamoyl-2,4,6-triiodo-benzoyl]-ethyl-amino]methyl ester Formula: C18H19BrI3N3O5 MolecularWeight: 817.97797

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Descriptors Computed from Structure

Canonical SMILES:

CCN(COC(=O)C)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N2CCCC(C2=O)Br)I

Isomeric SMILES

CCN(COC(=O)C)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N2CCCC(C2=O)Br)I

InChI

InChI=1S/C18H19BrI3N3O5/c1-3-24(7-30-8(2)26)18(29)11-12(20)10(16(23)27)13(21)15(14(11)22)25-6-4-5-9(19)17(25)28/h9H,3-7H2,1-2H3,(H2,23,27)