3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-[[4-(2-pyridyl)piperazino]methyl]benzoic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C17H19N3O2/c21-17(22)15-5-3-4-14(12-15)13-19-8-10-20(11-9-19)16-6-1-2-7-18-16/h1-7,12H,8-11,13H2,(H,21,22)