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

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]benzoic acid Formula: C18H19FN2O2 MolecularWeight: 314.354063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O2/c19-16-4-6-17(7-5-16)21-10-8-20(9-11-21)13-14-2-1-3-15(12-14)18(22)23/h1-7,12H,8-11,13H2,(H,22,23)