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

Systemtic Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzoic acid CAS Name: 3-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-[4-(2-pyrimidyl)piperazino]ethoxy]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c22-16(23)14-3-1-4-15(13-14)24-12-11-20-7-9-21(10-8-20)17-18-5-2-6-19-17/h1-6,13H,7-12H2,(H,22,23)