3-[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]-2-pentoxy-propanoic acid

Systemtic Name: 3-[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]-2-pentoxy-propanoic acid Openeye Name: 3-(3-carbamoyl-2,4,6-triiodo-phenyl)-2-pentoxy-propanoic acid CAS Name: 3-(3-carbamoyl-2,4,6-triiodophenyl)-2-pentoxypropanoic acid IUPAC Name: 3-(3-carbamoyl-2,4,6-triiodophenyl)-2-pentoxypropanoic acid Traditional Name: 2-amoxy-3-(3-carbamoyl-2,4,6-triiodo-phenyl)propionic acid Formula: C15H18I3NO4 MolecularWeight: 657.02113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(CC1=C(C=C(C(=C1I)C(=O)N)I)I)C(=O)O

Isomeric SMILES

CCCCCOC(CC1=C(C=C(C(=C1I)C(=O)N)I)I)C(=O)O

InChI

InChI=1S/C15H18I3NO4/c1-2-3-4-5-23-11(15(21)22)6-8-9(16)7-10(17)12(13(8)18)14(19)20/h7,11H,2-6H2,1H3,(H2,19,20)(H,21,22)