3-[4-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperazino]propionic acid Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)CCC(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)CCC(=O)O)Br

InChI

InChI=1S/C13H18BrN3O3/c1-15-9-10(14)8-11(15)13(20)17-6-4-16(5-7-17)3-2-12(18)19/h8-9H,2-7H2,1H3,(H,18,19)