[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 3-phenylpropanoate

Systemtic Name: [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 3-phenylpropanoate Openeye Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2C(OC(C2O)N3C=CC(=O)NC3=O)CO

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)CO

InChI

InChI=1S/C18H20N2O7/c21-10-12-16(27-14(23)7-6-11-4-2-1-3-5-11)15(24)17(26-12)20-9-8-13(22)19-18(20)25/h1-5,8-9,12,15-17,21,24H,6-7,10H2,(H,19,22,25)/t12-,15-,16-,17-/m1/s1