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

Systemtic Name: disodium (3R)-4-[[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[5-ethyl-4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[5-ethyl-4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C27H29FNNa2O6P MolecularWeight: 559.473964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H31FNO6P.2Na/c1-4-22-25(18-10-12-20(28)13-11-18)23(15-35-36(33,34)16-21(30)14-24(31)32)26(17(2)3)29-27(22)19-8-6-5-7-9-19;;/h5-13,17,21,30H,4,14-16H2,1-3H3,(H,31,32)(H,33,34);;/q;2*+1/p-2/t21-;;/m1../s1