2-methyl-2-[3-(4-oxidanyl-1-quinolin-4-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-(4-oxidanyl-1-quinolin-4-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid Openeye Name: 2-[3-[4-hydroxy-1-(quinoline-4-carbonyl)-4-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[4-hydroxy-1-[oxo(4-quinolinyl)methyl]-4-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[4-hydroxy-1-(quinoline-4-carbonyl)piperidin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-(1-cinchoninoyl-4-hydroxy-4-piperidyl)phenoxy]-2-methyl-propionic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2(CCN(CC2)C(=O)C3=CC=NC4=CC=CC=C34)O

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2(CCN(CC2)C(=O)C3=CC=NC4=CC=CC=C34)O

InChI

InChI=1S/C25H26N2O5/c1-24(2,23(29)30)32-18-7-5-6-17(16-18)25(31)11-14-27(15-12-25)22(28)20-10-13-26-21-9-4-3-8-19(20)21/h3-10,13,16,31H,11-12,14-15H2,1-2H3,(H,29,30)