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

Systemtic Name: 2-[2-methyl-4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[1-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[2-keto-4-(4-pyridyl)piperazino]acetyl]-2-methyl-phenoxy]acetic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

InChI

InChI=1S/C20H21N3O5/c1-14-10-15(2-3-18(14)28-13-20(26)27)17(24)11-23-9-8-22(12-19(23)25)16-4-6-21-7-5-16/h2-7,10H,8-9,11-13H2,1H3,(H,26,27)