2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]benzoic acid Openeye Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(3-fluorobenzoyl)piperazino]benzoic acid Formula: C18H17FN2O3 MolecularWeight: 328.337583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H17FN2O3/c19-14-5-3-4-13(12-14)17(22)21-10-8-20(9-11-21)16-7-2-1-6-15(16)18(23)24/h1-7,12H,8-11H2,(H,23,24)