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

Systemtic Name: sodium 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-pyrrolidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoate Openeye Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-pyrrolidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoate CAS Name: sodium 2-[[2-(4-chloro-3-fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]-2-methylpropanoate IUPAC Name: sodium 2-[2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-1-ylpyrimidin-4-yl]oxy-2-methylpropanoate Traditional Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-pyrrolidino-pyrimidin-4-yl]oxy-2-methyl-propionate Formula: C18H18ClFN3NaO3 MolecularWeight: 401.794993

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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.[Na+]

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=NC(=NC(=C1)N2CCCC2)C3=CC(=C(C=C3)Cl)F.[Na+]

InChI

InChI=1S/C18H19ClFN3O3.Na/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);/q;+1/p-1