5-[(4-ethanoylpiperazin-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-ethanoylpiperazin-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-acetylpiperazin-1-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-acetyl-1-piperazinyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-acetylpiperazin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-acetylpiperazino)methyl]-2-furoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(18-10)12(16)17/h2-3H,4-8H2,1H3,(H,16,17)