3-[[1,3-bis(2-methoxyethanoyloxy)-2-(2-methoxyethanoyloxymethyl)propan-2-yl]carbamoyl]-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid

Systemtic Name: 3-[[1,3-bis(2-methoxyethanoyloxy)-2-(2-methoxyethanoyloxymethyl)propan-2-yl]carbamoyl]-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-[[2-(2-methoxyacetyl)oxy-1,1-bis[(2-methoxyacetyl)oxymethyl]ethyl]carbamoyl]benzoic acid CAS Name: 3-[[[1,3-bis(2-methoxy-1-oxoethoxy)-2-[(2-methoxy-1-oxoethoxy)methyl]propan-2-yl]amino]-oxomethyl]-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-[[1,3-bis[(2-methoxyacetyl)oxy]-2-[(2-methoxyacetyl)oxymethyl]propan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-[[2-(2-methoxyacetyl)oxy-1,1-bis[(2-methoxyacetyl)oxymethyl]ethyl]carbamoyl]benzoic acid Formula: C24H29I3N2O14 MolecularWeight: 950.20547

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC(COC(=O)COC)(COC(=O)COC)COC(=O)COC)I

Isomeric SMILES

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC(COC(=O)COC)(COC(=O)COC)COC(=O)COC)I

InChI

InChI=1S/C24H29I3N2O14/c1-37-5-12(30)28-21-19(26)16(18(25)17(20(21)27)23(35)36)22(34)29-24(9-41-13(31)6-38-2,10-42-14(32)7-39-3)11-43-15(33)8-40-4/h5-11H2,1-4H3,(H,28,30)(H,29,34)(H,35,36)