disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate

Systemtic Name: disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenylpyridin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C25H25FNNa2O6P MolecularWeight: 531.420804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C)C3=CC=C(C=C3)F)COP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C)C3=CC=C(C=C3)F)COP(=O)(C[C@@H](CC(=O)[O-])O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H27FNO6P.2Na/c1-3-22-21(14-33-34(31,32)15-20(28)13-23(29)30)24(17-9-11-19(26)12-10-17)16(2)25(27-22)18-7-5-4-6-8-18;;/h4-12,20,28H,3,13-15H2,1-2H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/t20-;;/m1../s1