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

Systemtic Name: 3-benzamido-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[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)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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