2-(4-ethanoylphenoxy)-2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)pentanoic acid

Systemtic Name: 2-(4-ethanoylphenoxy)-2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)pentanoic acid Openeye Name: 2-(4-acetylphenoxy)-2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]pentanoic acid CAS Name: 2-(4-acetylphenoxy)-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)pentanoic acid IUPAC Name: 2-(4-acetylphenoxy)-2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Traditional Name: 2-(4-acetylphenoxy)-2-[2-keto-4-(4-pyridyl)piperazino]valeric acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-3-10-22(21(28)29,30-19-6-4-17(5-7-19)16(2)26)25-14-13-24(15-20(25)27)18-8-11-23-12-9-18/h4-9,11-12H,3,10,13-15H2,1-2H3,(H,28,29)