ethyl 6-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]hexanoate Openeye Name: ethyl 6-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]hexanoate CAS Name: 6-amino-2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]hexanoate Traditional Name: 6-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]hexanoic acid ethyl ester Formula: C19H25I3N4O5 MolecularWeight: 770.13901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C(CCCCN)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C19H25I3N4O5/c1-4-31-19(30)11(7-5-6-8-23)26-18(29)12-13(20)16(24-9(2)27)15(22)17(14(12)21)25-10(3)28/h11H,4-8,23H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)