ditert-butyl (2S,3aR,7S,7aS)-7-oxidanyl-4-oxidanylidene-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate

Systemtic Name: ditert-butyl (2S,3aR,7S,7aS)-7-oxidanyl-4-oxidanylidene-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate Openeye Name: ditert-butyl (2S,3aR,7S,7aS)-7-hydroxy-4-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate CAS Name: (2S,3aR,7S,7aS)-7-hydroxy-4-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,3aR,7S,7aS)-7-hydroxy-4-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate Traditional Name: (2S,3aR,7S,7aS)-7-hydroxy-4-keto-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid ditert-butyl ester Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2C(N1C(=O)OC(C)(C)C)C(C=CC2=O)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)[C@H](C=CC2=O)O

InChI

InChI=1S/C18H27NO6/c1-17(2,3)24-15(22)11-9-10-12(20)7-8-13(21)14(10)19(11)16(23)25-18(4,5)6/h7-8,10-11,13-14,21H,9H2,1-6H3/t10-,11-,13-,14-/m0/s1