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

Systemtic Name: 3-[4-(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromo-1-ethyl-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-bromo-1-ethyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromo-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-bromo-1-ethyl-pyrrole-2-carbonyl)piperazino]propionic acid Formula: C14H20BrN3O3 MolecularWeight: 358.2309

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)N2CCN(CC2)CCC(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)N2CCN(CC2)CCC(=O)O)Br

InChI

InChI=1S/C14H20BrN3O3/c1-2-17-10-11(15)9-12(17)14(21)18-7-5-16(6-8-18)4-3-13(19)20/h9-10H,2-8H2,1H3,(H,19,20)