1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetrakis(iodanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetrakis(iodanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodo-benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[(2-carboxybutylamino)-oxomethyl]-2,3,5,6-tetraiodophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodo-benzoyl]proline Formula: C18H18I4N2O6 MolecularWeight: 865.9632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCCC2C(=O)O)I)I)C(=O)O

Isomeric SMILES

CCC(CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCCC2C(=O)O)I)I)C(=O)O

InChI

InChI=1S/C18H18I4N2O6/c1-2-7(17(27)28)6-23-15(25)9-11(19)13(21)10(14(22)12(9)20)16(26)24-5-3-4-8(24)18(29)30/h7-8H,2-6H2,1H3,(H,23,25)(H,27,28)(H,29,30)