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

Systemtic Name: 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-pyrrolidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-pyrrolidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[2-(4-chloro-3-fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-1-ylpyrimidin-4-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-pyrrolidino-pyrimidin-4-yl]oxy-2-methyl-propionic acid Formula: C18H19ClFN3O3 MolecularWeight: 379.813163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=NC(=NC(=C1)N2CCCC2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC(C)(C(=O)O)OC1=NC(=NC(=C1)N2CCCC2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C18H19ClFN3O3/c1-18(2,17(24)25)26-15-10-14(23-7-3-4-8-23)21-16(22-15)11-5-6-12(19)13(20)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,24,25)