3-[4-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)piperazino]propionic acid Formula: C13H17Cl2N3O3 MolecularWeight: 334.19838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H17Cl2N3O3/c1-16-10(8-9(14)12(16)15)13(21)18-6-4-17(5-7-18)3-2-11(19)20/h8H,2-7H2,1H3,(H,19,20)