2-[2-(carboxymethylperoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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