2-methyl-2-[2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-(4-nicotinoylpiperazino)phenoxy]propionic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-20(2,19(25)26)27-17-8-4-3-7-16(17)22-10-12-23(13-11-22)18(24)15-6-5-9-21-14-15/h3-9,14H,10-13H2,1-2H3,(H,25,26)