4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C16H17N3O2/c20-16(21)13-4-6-14(7-5-13)18-9-11-19(12-10-18)15-3-1-2-8-17-15/h1-8H,9-12H2,(H,20,21)