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

Systemtic Name: 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-[4-(2-pyridyl)piperazin-1-yl]ethoxy]benzoic acid CAS Name: 3-[2-[4-(2-pyridinyl)-1-piperazinyl]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-[4-(2-pyridyl)piperazino]ethoxy]benzoic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C18H21N3O3/c22-18(23)15-4-3-5-16(14-15)24-13-12-20-8-10-21(11-9-20)17-6-1-2-7-19-17/h1-7,14H,8-13H2,(H,22,23)