disodium 2-[3-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: disodium 2-[3-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: disodium 2-[3-(2-oxido-2-oxo-ethoxy)-5-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetate CAS Name: disodium 2-[3-(2-oxido-2-oxoethoxy)-5-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetate IUPAC Name: disodium 2-[3-(2-oxido-2-oxoethoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate Traditional Name: disodium 2-[3-(2-keto-2-oxido-ethoxy)-5-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetate Formula: C21H21N3Na2O7 MolecularWeight: 473.38688

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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.[Na+].[Na+]

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC(=CC(=C2)OCC(=O)[O-])OCC(=O)[O-])C3=CC=NC=C3.[Na+].[Na+]

InChI

InChI=1S/C21H23N3O7.2Na/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);;/q;2*+1/p-2