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

Systemtic Name: 2-[4-(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-bromo-1-ethyl-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4-bromo-1-ethyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-bromo-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-bromo-1-ethyl-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O3/c1-2-16-8-10(14)7-11(16)13(20)17-5-3-15(4-6-17)9-12(18)19/h7-8H,2-6,9H2,1H3,(H,18,19)