[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]oxy-ethyl] dihydrogen phosphate

Systemtic Name: [(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]oxy-ethyl] dihydrogen phosphate Openeye Name: [(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]oxy-ethyl] dihydrogen phosphate CAS Name: [(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[[(2R,3S)-3-(4-fluorophenyl)-4-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]-2-morpholinyl]oxy]ethyl] dihydrogen phosphate IUPAC Name: [(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]oxyethyl] dihydrogen phosphate Traditional Name: [(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]oxy-ethyl] dihydrogen phosphate Formula: C23H22F7N4O7P MolecularWeight: 630.405963

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(N1CC2=NC(=O)NN2)C3=CC=C(C=C3)F)OC(COP(=O)(O)O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CO[C@@H]([C@@H](N1CC2=NC(=O)NN2)C3=CC=C(C=C3)F)O[C@H](COP(=O)(O)O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H22F7N4O7P/c24-16-3-1-12(2-4-16)19-20(39-6-5-34(19)10-18-31-21(35)33-32-18)41-17(11-40-42(36,37)38)13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-4,7-9,17,19-20H,5-6,10-11H2,(H2,36,37,38)(H2,31,32,33,35)/t17-,19+,20-/m1/s1