[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)-6-propyl-pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)-6-propyl-pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo-6-propyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo-6-propyl-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo-6-propylpyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-diketo-6-propyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C33H30N2O9 MolecularWeight: 598.5993

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)NC(=O)N1C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H30N2O9/c1-2-12-24-19-26(36)34-33(40)35(24)29-28(44-32(39)23-17-10-5-11-18-23)27(43-31(38)22-15-8-4-9-16-22)25(42-29)20-41-30(37)21-13-6-3-7-14-21/h3-11,13-19,25,27-29H,2,12,20H2,1H3,(H,34,36,40)/t25-,27-,28-,29-/m1/s1