2-[4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H17N3O4/c1-9(17)10-6-11(14-7-10)13(20)16-4-2-15(3-5-16)8-12(18)19/h6-7,14H,2-5,8H2,1H3,(H,18,19)