[(6aR,7S,8S,10aR,10bS)-6a-oxidanyl-3-oxidanylidene-7-(phenylcarbonyloxy)-5,6,7,8,9,10,10a,10b-octahydro-1H-[1,3]oxazolo[4,3-a]isoquinolin-8-yl] benzoate

Systemtic Name: [(6aR,7S,8S,10aR,10bS)-6a-oxidanyl-3-oxidanylidene-7-(phenylcarbonyloxy)-5,6,7,8,9,10,10a,10b-octahydro-1H-[1,3]oxazolo[4,3-a]isoquinolin-8-yl] benzoate Openeye Name: [(6aR,7S,8S,10aR,10bS)-7-benzoyloxy-6a-hydroxy-3-oxo-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-8-yl] benzoate CAS Name: benzoic acid [(6aR,7S,8S,10aR,10bS)-7-benzoyloxy-6a-hydroxy-3-oxo-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-8-yl] ester IUPAC Name: [(6aR,7S,8S,10aR,10bS)-7-benzoyloxy-6a-hydroxy-3-oxo-5,6,7,8,9,10,10a,10b-octahydro-1H-[1,3]oxazolo[4,3-a]isoquinolin-8-yl] benzoate Traditional Name: benzoic acid [(6aR,7S,8S,10aR,10bS)-7-benzoyloxy-6a-hydroxy-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazol[4,3-a]isoquinolin-8-yl] ester Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2(C1C3COC(=O)N3CC2)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H]([C@@H]([C@@]2([C@H]1[C@H]3COC(=O)N3CC2)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25NO7/c27-22(16-7-3-1-4-8-16)32-20-12-11-18-19-15-31-24(29)26(19)14-13-25(18,30)21(20)33-23(28)17-9-5-2-6-10-17/h1-10,18-21,30H,11-15H2/t18-,19-,20+,21+,25-/m1/s1