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

Systemtic Name: 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Openeye Name: 4-[2-[4-(2-pyridyl)piperazin-1-yl]ethoxy]benzoic acid CAS Name: 4-[2-[4-(2-pyridinyl)-1-piperazinyl]ethoxy]benzoic acid IUPAC Name: 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Traditional Name: 4-[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=C(C=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

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

InChI

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