1-(5-bromanyl-2-iodanyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-iodanyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-bromo-2-iodo-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-iodophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-iodobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-2-iodo-benzoyl)nipecotic acid Formula: C13H13BrINO3 MolecularWeight: 438.05569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrINO3/c14-9-3-4-11(15)10(6-9)12(17)16-5-1-2-8(7-16)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)