2-[4-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(4-pyrimidin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid CAS Name: 2-[4-[1-oxo-2-[4-(4-pyrimidinyl)-1-piperazinyl]ethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(4-pyrimidin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[4-(4-pyrimidyl)piperazino]acetyl]phenoxy]acetic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)OCC(=O)O)C3=NC=NC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)OCC(=O)O)C3=NC=NC=C3

InChI

InChI=1S/C18H20N4O4/c23-16(14-1-3-15(4-2-14)26-12-18(24)25)11-21-7-9-22(10-8-21)17-5-6-19-13-20-17/h1-6,13H,7-12H2,(H,24,25)