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

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(3-fluorobenzyl)piperazino]benzoic acid Formula: C18H19FN2O2 MolecularWeight: 314.354063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=CC=C3C(=O)O

InChI

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