2-methyl-2-[3-(1-pyridin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-(1-pyridin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]propanoic acid Openeye Name: 2-methyl-2-[3-[1-(pyridine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[3-[1-[oxo(pyridin-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[1-(pyridine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid Traditional Name: 2-[3-(1-isonicotinoyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-2-methyl-propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-21(2,20(25)26)27-18-5-3-4-17(14-18)15-8-12-23(13-9-15)19(24)16-6-10-22-11-7-16/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,26)