3-[4-(phenylcarbonyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]benzoic acid Openeye Name: 3-(4-benzoylpiperazin-1-yl)benzoic acid CAS Name: 3-(4-benzoyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(4-benzoylpiperazin-1-yl)benzoic acid Traditional Name: 3-(4-benzoylpiperazino)benzoic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c21-17(14-5-2-1-3-6-14)20-11-9-19(10-12-20)16-8-4-7-15(13-16)18(22)23/h1-8,13H,9-12H2,(H,22,23)