2-methyl-2-[4-(4-oxidanyl-1-pyridin-4-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-(4-oxidanyl-1-pyridin-4-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid Openeye Name: 2-[4-[4-hydroxy-1-(pyridine-4-carbonyl)-4-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[4-hydroxy-1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-hydroxy-1-(pyridine-4-carbonyl)piperidin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(4-hydroxy-1-isonicotinoyl-4-piperidyl)phenoxy]-2-methyl-propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)C3=CC=NC=C3)O

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)C3=CC=NC=C3)O

InChI

InChI=1S/C21H24N2O5/c1-20(2,19(25)26)28-17-5-3-16(4-6-17)21(27)9-13-23(14-10-21)18(24)15-7-11-22-12-8-15/h3-8,11-12,27H,9-10,13-14H2,1-2H3,(H,25,26)