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

Systemtic Name: 2-methyl-2-[4-[2-(2-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[2-[2-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[1-oxo-2-(2-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[2-(2-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[2-[2-(4-pyridyl)piperazino]acetyl]phenoxy]propionic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)CN2CCNCC2C3=CC=NC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)CN2CCNCC2C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O4/c1-21(2,20(26)27)28-17-5-3-16(4-6-17)19(25)14-24-12-11-23-13-18(24)15-7-9-22-10-8-15/h3-10,18,23H,11-14H2,1-2H3,(H,26,27)