2-[3-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[3-methyl-4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetic acid CAS Name: 2-[3-methyl-4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[3-methyl-4-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-15-12-17(27-14-20(25)26)2-3-18(15)19(24)13-22-8-10-23(11-9-22)16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3,(H,25,26)