[(2S,3aS,4R,6R)-2-methanoyl-6-[(1S,2R)-2-phenylcyclohexyl]oxy-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b][1,2]oxazin-4-yl] benzoate

Systemtic Name: [(2S,3aS,4R,6R)-2-methanoyl-6-[(1S,2R)-2-phenylcyclohexyl]oxy-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b][1,2]oxazin-4-yl] benzoate Openeye Name: [(2S,3aS,4R,6R)-2-formyl-6-[(1S,2R)-2-phenylcyclohexoxy]-2,3,3a,4,5,6-hexahydroisoxazolo[2,3-b]oxazin-4-yl] benzoate CAS Name: benzoic acid [(2S,3aS,4R,6R)-2-formyl-6-[(1S,2R)-2-phenylcyclohexyl]oxy-2,3,3a,4,5,6-hexahydroisoxazolo[2,3-b]oxazin-4-yl] ester IUPAC Name: [(2S,3aS,4R,6R)-2-formyl-6-[(1S,2R)-2-phenylcyclohexyl]oxy-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazin-4-yl] benzoate Traditional Name: benzoic acid [(2S,3aS,4R,6R)-2-formyl-6-[(1S,2R)-2-phenylcyclohexoxy]-2,3,3a,4,5,6-hexahydroisoxazolo[2,3-b]oxazin-4-yl] ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2)OC3CC(C4CC(ON4O3)C=O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)O[C@H]3C[C@H]([C@@H]4C[C@H](ON4O3)C=O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H29NO6/c28-17-20-15-22-24(31-26(29)19-11-5-2-6-12-19)16-25(33-27(22)32-20)30-23-14-8-7-13-21(23)18-9-3-1-4-10-18/h1-6,9-12,17,20-25H,7-8,13-16H2/t20-,21+,22-,23-,24+,25+/m0/s1