2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-(4-isovalerylpiperazino)-2-keto-acetic acid Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C(=O)O

InChI

InChI=1S/C11H18N2O4/c1-8(2)7-9(14)12-3-5-13(6-4-12)10(15)11(16)17/h8H,3-7H2,1-2H3,(H,16,17)