tert-butyl (3aS,5S,6R)-6-(2-bromophenyl)carbonyloxy-3a-methyl-5-oxidanyl-2-oxidanylidene-3,4,5,6-tetrahydroindole-1-carboxylate

Systemtic Name: tert-butyl (3aS,5S,6R)-6-(2-bromophenyl)carbonyloxy-3a-methyl-5-oxidanyl-2-oxidanylidene-3,4,5,6-tetrahydroindole-1-carboxylate Openeye Name: tert-butyl (3aS,5S,6R)-6-(2-bromobenzoyl)oxy-5-hydroxy-3a-methyl-2-oxo-3,4,5,6-tetrahydroindole-1-carboxylate CAS Name: (3aS,5S,6R)-6-[(2-bromophenyl)-oxomethoxy]-5-hydroxy-3a-methyl-2-oxo-3,4,5,6-tetrahydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,5S,6R)-6-(2-bromobenzoyl)oxy-5-hydroxy-3a-methyl-2-oxo-3,4,5,6-tetrahydroindole-1-carboxylate Traditional Name: (3aS,5S,6R)-6-(2-bromobenzoyl)oxy-5-hydroxy-2-keto-3a-methyl-3,4,5,6-tetrahydroindole-1-carboxylic acid tert-butyl ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C(C=C1N(C(=O)C2)C(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3Br)O

Isomeric SMILES

C[C@@]12C[C@@H]([C@@H](C=C1N(C(=O)C2)C(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3Br)O

InChI

InChI=1S/C21H24BrNO6/c1-20(2,3)29-19(27)23-16-9-15(14(24)10-21(16,4)11-17(23)25)28-18(26)12-7-5-6-8-13(12)22/h5-9,14-15,24H,10-11H2,1-4H3/t14-,15+,21-/m0/s1