[(3aS,4R,6S,7R,7aS)-5-azanyl-6-oxidanyl-7-(phenylcarbonyloxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate

Systemtic Name: [(3aS,4R,6S,7R,7aS)-5-azanyl-6-oxidanyl-7-(phenylcarbonyloxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Openeye Name: [(3aS,4R,6S,7R,7aS)-5-amino-7-benzoyloxy-6-hydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate CAS Name: benzoic acid [(3aS,4R,6S,7R,7aS)-5-amino-7-benzoyloxy-6-hydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,6S,7R,7aS)-5-amino-7-benzoyloxy-6-hydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Traditional Name: benzoic acid [(3aS,4R,6S,7R,7aS)-5-amino-7-benzoyloxy-6-hydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2C(O1)C(C(C(C2OC(=O)C3=CC=CC=C3)N)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1O[C@H]2[C@@H](O1)[C@@H](C([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)O)N)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO7/c22-14-15(23)17(29-21(25)13-9-5-2-6-10-13)19-18(26-11-27-19)16(14)28-20(24)12-7-3-1-4-8-12/h1-10,14-19,23H,11,22H2/t14?,15-,16+,17+,18-,19+/m0/s1