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

Systemtic Name: disodium (3R)-4-[[4-(4-fluorophenyl)-5-methyl-6-phenyl-2-propan-2-yl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[4-(4-fluorophenyl)-2-isopropyl-5-methyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[4-(4-fluorophenyl)-5-methyl-6-phenyl-2-propan-2-yl-3-pyridinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[4-(4-fluorophenyl)-5-methyl-6-phenyl-2-propan-2-ylpyridin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[4-(4-fluorophenyl)-2-isopropyl-5-methyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C26H27FNNa2O6P MolecularWeight: 545.447384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C2=CC=CC=C2)C(C)C)COP(=O)(CC(CC(=O)[O-])O)[O-])C3=CC=C(C=C3)F.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(N=C1C2=CC=CC=C2)C(C)C)COP(=O)(C[C@@H](CC(=O)[O-])O)[O-])C3=CC=C(C=C3)F.[Na+].[Na+]

InChI

InChI=1S/C26H29FNO6P.2Na/c1-16(2)25-22(14-34-35(32,33)15-21(29)13-23(30)31)24(18-9-11-20(27)12-10-18)17(3)26(28-25)19-7-5-4-6-8-19;;/h4-12,16,21,29H,13-15H2,1-3H3,(H,30,31)(H,32,33);;/q;2*+1/p-2/t21-;;/m1../s1