3-[4-(5-bromanyl-2-iodanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-bromanyl-2-iodanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-bromo-2-iodo-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-2-iodophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-bromo-2-iodo-benzoyl)piperazino]propionic acid Formula: C14H16BrIN2O3 MolecularWeight: 467.09691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=C(C=CC(=C2)Br)I

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=C(C=CC(=C2)Br)I

InChI

InChI=1S/C14H16BrIN2O3/c15-10-1-2-12(16)11(9-10)14(21)18-7-5-17(6-8-18)4-3-13(19)20/h1-2,9H,3-8H2,(H,19,20)