1-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-hydroxy-3,5-diiodo-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-hydroxy-3,5-diiodo-benzoyl)nipecotic acid Formula: C13H13I2NO4 MolecularWeight: 501.05556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2O)I)I)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2O)I)I)C(=O)O

InChI

InChI=1S/C13H13I2NO4/c14-8-4-9(11(17)10(15)5-8)12(18)16-3-1-2-7(6-16)13(19)20/h4-5,7,17H,1-3,6H2,(H,19,20)