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

Systemtic Name: ethyl 3-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]propanoate CAS Name: 3-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]propanoate Traditional Name: 3-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]propionic acid ethyl ester Formula: C16H18I3N3O5 MolecularWeight: 713.04463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I3N3O5/c1-4-27-9(25)5-6-20-16(26)10-11(17)14(21-7(2)23)13(19)15(12(10)18)22-8(3)24/h4-6H2,1-3H3,(H,20,26)(H,21,23)(H,22,24)