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

Systemtic Name: disodium (3R)-4-[[2-cyclopropyl-4-(4-fluorophenyl)-6-phenyl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[2-cyclopropyl-4-(4-fluorophenyl)-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[2-cyclopropyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[2-cyclopropyl-4-(4-fluorophenyl)-6-phenylpyridin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[2-cyclopropyl-4-(4-fluorophenyl)-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C25H23FNNa2O6P MolecularWeight: 529.404924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)COP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)COP(=O)(C[C@@H](CC(=O)[O-])O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H25FNO6P.2Na/c26-19-10-8-16(9-11-19)21-13-23(17-4-2-1-3-5-17)27-25(18-6-7-18)22(21)14-33-34(31,32)15-20(28)12-24(29)30;;/h1-5,8-11,13,18,20,28H,6-7,12,14-15H2,(H,29,30)(H,31,32);;/q;2*+1/p-2/t20-;;/m1../s1