2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-piperidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-piperidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-(1-piperidyl)pyrimidin-4-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[2-(4-chloro-3-fluorophenyl)-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[2-(4-chloro-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-piperidino-pyrimidin-4-yl]oxy-2-methyl-propionic acid Formula: C19H21ClFN3O3 MolecularWeight: 393.839743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=NC(=NC(=C1)N2CCCCC2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC(C)(C(=O)O)OC1=NC(=NC(=C1)N2CCCCC2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C19H21ClFN3O3/c1-19(2,18(25)26)27-16-11-15(24-8-4-3-5-9-24)22-17(23-16)12-6-7-13(20)14(21)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,25,26)