[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-[3-benzoyl-2,4-dioxo-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]pyrimidin-1-yl]-3-benzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-[3-benzoyl-2,4-dioxo-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]-1-pyrimidinyl]-3-benzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[3-benzoyl-2,4-dioxo-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]pyrimidin-1-yl]-3-benzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-[3-benzoyl-2,4-diketo-5-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]pyrimidin-1-yl]-3-benzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C35H27F3N2O8 MolecularWeight: 660.59269

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C=CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3CC(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C=C(/C=C/C1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C35H27F3N2O8/c1-22(35(36,37)38)17-18-26-20-39(34(45)40(31(26)42)30(41)23-11-5-2-6-12-23)29-19-27(48-33(44)25-15-9-4-10-16-25)28(47-29)21-46-32(43)24-13-7-3-8-14-24/h2-18,20,27-29H,1,19,21H2/b18-17+/t27-,28+,29+/m0/s1