2-[4-(1-methylpyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1-methylpyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1-methylpyrrole-2-carbonyl)piperazino]acetic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H17N3O3/c1-13-4-2-3-10(13)12(18)15-7-5-14(6-8-15)9-11(16)17/h2-4H,5-9H2,1H3,(H,16,17)