1-(5-bromanyl-2-iodanyl-phenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-iodanyl-phenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-bromo-2-iodo-benzoyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-iodophenyl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(5-bromo-2-iodo-benzoyl)-4-methoxy-proline Formula: C13H13BrINO4 MolecularWeight: 454.05509

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=C(C=CC(=C2)Br)I)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=C(C=CC(=C2)Br)I)C(=O)O

InChI

InChI=1S/C13H13BrINO4/c1-20-8-5-11(13(18)19)16(6-8)12(17)9-4-7(14)2-3-10(9)15/h2-4,8,11H,5-6H2,1H3,(H,18,19)