3-oxidanylidene-2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)-2-phenoxy-butanoic acid

Systemtic Name: 3-oxidanylidene-2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)-2-phenoxy-butanoic acid Openeye Name: 3-oxo-2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]-2-phenoxy-butanoic acid CAS Name: 3-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)-2-phenoxybutanoic acid IUPAC Name: 3-oxo-2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)-2-phenoxybutanoic acid Traditional Name: 3-keto-2-[2-keto-4-(4-pyridyl)piperazino]-2-phenoxy-butyric acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CCN(CC1=O)C2=CC=NC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CCN(CC1=O)C2=CC=NC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5/c1-14(23)19(18(25)26,27-16-5-3-2-4-6-16)22-12-11-21(13-17(22)24)15-7-9-20-10-8-15/h2-10H,11-13H2,1H3,(H,25,26)