2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]ethanoic acid Openeye Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodo-benzoyl]-ethyl-amino]acetic acid CAS Name: 2-[[[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-ethylamino]acetic acid IUPAC Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]-ethylamino]acetic acid Traditional Name: 2-[[3,5-bis[ethyl(propionyl)amino]-2,4,6-triiodo-benzoyl]-ethyl-amino]acetic acid Formula: C21H28I3N3O5 MolecularWeight: 783.17753

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC)C1=C(C(=C(C(=C1I)C(=O)N(CC)CC(=O)O)I)N(CC)C(=O)CC)I

Isomeric SMILES

CCC(=O)N(CC)C1=C(C(=C(C(=C1I)C(=O)N(CC)CC(=O)O)I)N(CC)C(=O)CC)I

InChI

InChI=1S/C21H28I3N3O5/c1-6-12(28)26(9-4)19-16(22)15(21(32)25(8-3)11-14(30)31)17(23)20(18(19)24)27(10-5)13(29)7-2/h6-11H2,1-5H3,(H,30,31)