3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-bromonicotinoyl)piperazino]propionic acid Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3/c14-11-7-10(8-15-9-11)13(20)17-5-3-16(4-6-17)2-1-12(18)19/h7-9H,1-6H2,(H,18,19)