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

Systemtic Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazino]acetyl]amino]benzoic acid Formula: C19H20FN3O3 MolecularWeight: 357.378803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3/c20-15-4-6-17(7-5-15)23-10-8-22(9-11-23)13-18(24)21-16-3-1-2-14(12-16)19(25)26/h1-7,12H,8-11,13H2,(H,21,24)(H,25,26)