3-(4-ethanoylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)benzoic acid Openeye Name: 3-(4-acetylpiperazin-1-yl)benzoic acid CAS Name: 3-(4-acetyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(4-acetylpiperazin-1-yl)benzoic acid Traditional Name: 3-(4-acetylpiperazino)benzoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(9-12)13(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)