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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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