tert-butyl (3aS,7aR)-5-oxidanylidene-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylate

Systemtic Name: tert-butyl (3aS,7aR)-5-oxidanylidene-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylate Openeye Name: tert-butyl (3aS,7aR)-5-oxo-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylate CAS Name: (3aS,7aR)-5-oxo-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,7aR)-5-oxo-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylate Traditional Name: (3aS,7aR)-5-keto-3,3a,4,6,7,7a-hexahydro-2H-indole-1-carboxylic acid tert-butyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2C1CCC(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC(=O)C2

InChI

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-6-9-8-10(15)4-5-11(9)14/h9,11H,4-8H2,1-3H3/t9-,11+/m0/s1