2-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl-(2-phenoxyethanoyl)amino]ethanoic acid

Systemtic Name: 2-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl-(2-phenoxyethanoyl)amino]ethanoic acid Openeye Name: 2-[[2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]acetyl]-(2-phenoxyacetyl)amino]acetic acid CAS Name: 2-[[1-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)ethyl]-(1-oxo-2-phenoxyethyl)amino]acetic acid IUPAC Name: 2-[[2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)acetyl]-(2-phenoxyacetyl)amino]acetic acid Traditional Name: 2-[[2-[2-keto-4-(4-pyridyl)piperazino]acetyl]-(2-phenoxyacetyl)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)N(CC(=O)O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=NC=C2)CC(=O)N(CC(=O)O)C(=O)COC3=CC=CC=C3

InChI

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