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

Systemtic Name: disodium (3R)-4-[[4-(4-fluorophenyl)-6-phenyl-2-propyl-piperidin-3-yl]methoxy-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium (3R)-4-[[4-(4-fluorophenyl)-6-phenyl-2-propyl-3-piperidyl]methoxy-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium (3R)-4-[[4-(4-fluorophenyl)-6-phenyl-2-propyl-3-piperidinyl]methoxy-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium (3R)-4-[[4-(4-fluorophenyl)-6-phenyl-2-propylpiperidin-3-yl]methoxy-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium (3R)-4-[[4-(4-fluorophenyl)-6-phenyl-2-propyl-3-piperidyl]methoxy-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C25H31FNNa2O6P MolecularWeight: 537.468444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(CC(N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)COP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1C(C(CC(N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)COP(=O)(C[C@@H](CC(=O)[O-])O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H33FNO6P.2Na/c1-2-6-23-22(15-33-34(31,32)16-20(28)13-25(29)30)21(17-9-11-19(26)12-10-17)14-24(27-23)18-7-4-3-5-8-18;;/h3-5,7-12,20-24,27-28H,2,6,13-16H2,1H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/t20-,21?,22?,23?,24?;;/m1../s1