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

Systemtic Name: disodium (3R)-4-[[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[6-tert-butyl-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[6-tert-butyl-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C23H29FNNa2O6P MolecularWeight: 511.431164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C(C)(C)C)C2=CC=C(C=C2)F)COP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C(C)(C)C)C2=CC=C(C=C2)F)COP(=O)(C[C@@H](CC(=O)[O-])O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H31FNO6P.2Na/c1-14(2)22-19(12-31-32(29,30)13-17(26)10-21(27)28)18(11-20(25-22)23(3,4)5)15-6-8-16(24)9-7-15;;/h6-9,11,14,17,26H,10,12-13H2,1-5H3,(H,27,28)(H,29,30);;/q;2*+1/p-2/t17-;;/m1../s1