1-[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,5-dichloro-2-iodo-benzoyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dichloro-2-iodophenyl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,5-dichloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3,5-dichloro-2-iodo-benzoyl)-4-methoxy-proline Formula: C13H12Cl2INO4 MolecularWeight: 444.04915

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC(=CC(=C2I)Cl)Cl)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=CC(=CC(=C2I)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H12Cl2INO4/c1-21-7-4-10(13(19)20)17(5-7)12(18)8-2-6(14)3-9(15)11(8)16/h2-3,7,10H,4-5H2,1H3,(H,19,20)