2-[3-(carboxymethyloxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyloxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-5-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetic acid CAS Name: 2-[3-(carboxymethyloxy)-5-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-(carboxymethyloxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[3-(carboxymethyloxy)-5-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c25-19(12-23-5-7-24(8-6-23)16-1-3-22-4-2-16)15-9-17(30-13-20(26)27)11-18(10-15)31-14-21(28)29/h1-4,9-11H,5-8,12-14H2,(H,26,27)(H,28,29)