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

Systemtic Name: 2-(4-ethanoylphenoxy)-2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)propanoic acid Openeye Name: 2-(4-acetylphenoxy)-2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 2-(4-acetylphenoxy)-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)propanoic acid IUPAC Name: 2-(4-acetylphenoxy)-2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)propanoic acid Traditional Name: 2-(4-acetylphenoxy)-2-[2-keto-4-(4-pyridyl)piperazino]propionic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(C)(C(=O)O)N2CCN(CC2=O)C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(C)(C(=O)O)N2CCN(CC2=O)C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O5/c1-14(24)15-3-5-17(6-4-15)28-20(2,19(26)27)23-12-11-22(13-18(23)25)16-7-9-21-10-8-16/h3-10H,11-13H2,1-2H3,(H,26,27)