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

Systemtic Name: 5-benzamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-(3-fluorobenzyl)piperazino]benzoic acid Formula: C25H24FN3O3 MolecularWeight: 433.474763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24FN3O3/c26-20-8-4-5-18(15-20)17-28-11-13-29(14-12-28)23-10-9-21(16-22(23)25(31)32)27-24(30)19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2,(H,27,30)(H,31,32)