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

Systemtic Name: 2-[3-(carboxymethyloxy)-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetic acid CAS Name: 2-[3-(carboxymethyloxy)-4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-(carboxymethyloxy)-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[3-(carboxymethyloxy)-4-[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=C(C=C(C=C2)OCC(=O)O)OCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

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

InChI

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