2-[2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[4-[2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[4-[1-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-[2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetyl]amino]acetic acid Traditional Name: 2-[[2-[4-[2-[2-keto-4-(4-pyridyl)piperazino]acetyl]phenoxy]acetyl]amino]acetic acid Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=NC=C2)CC(=O)C3=CC=C(C=C3)OCC(=O)NCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=NC=C2)CC(=O)C3=CC=C(C=C3)OCC(=O)NCC(=O)O

InChI

InChI=1S/C21H22N4O6/c26-18(12-25-10-9-24(13-20(25)28)16-5-7-22-8-6-16)15-1-3-17(4-2-15)31-14-19(27)23-11-21(29)30/h1-8H,9-14H2,(H,23,27)(H,29,30)