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

Systemtic Name: sodium 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-piperidin-1-yl-pyrimidin-4-yl]oxy-2-methyl-propanoate Openeye Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-(1-piperidyl)pyrimidin-4-yl]oxy-2-methyl-propanoate CAS Name: sodium 2-[[2-(4-chloro-3-fluorophenyl)-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-2-methylpropanoate IUPAC Name: sodium 2-[2-(4-chloro-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]oxy-2-methylpropanoate Traditional Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-piperidino-pyrimidin-4-yl]oxy-2-methyl-propionate Formula: C19H20ClFN3NaO3 MolecularWeight: 415.821573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=NC(=NC(=C1)N2CCCCC2)C3=CC(=C(C=C3)Cl)F.[Na+]

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=NC(=NC(=C1)N2CCCCC2)C3=CC(=C(C=C3)Cl)F.[Na+]

InChI

InChI=1S/C19H21ClFN3O3.Na/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);/q;+1/p-1