3-[4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazino]propionic acid Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H16BrN3O3/c13-9-7-10(14-8-9)12(19)16-5-3-15(4-6-16)2-1-11(17)18/h7-8,14H,1-6H2,(H,17,18)