3-(2-piperazin-2-ylethanoyl)benzoic acid

Systemtic Name: 3-(2-piperazin-2-ylethanoyl)benzoic acid Openeye Name: 3-(2-piperazin-2-ylacetyl)benzoic acid CAS Name: 3-[1-oxo-2-(2-piperazinyl)ethyl]benzoic acid IUPAC Name: 3-(2-piperazin-2-ylacetyl)benzoic acid Traditional Name: 3-(2-piperazin-2-ylacetyl)benzoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN1)CC(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1CNC(CN1)CC(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c16-12(7-11-8-14-4-5-15-11)9-2-1-3-10(6-9)13(17)18/h1-3,6,11,14-15H,4-5,7-8H2,(H,17,18)