tert-butyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate

Systemtic Name: tert-butyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate Openeye Name: tert-butyl (2S,5R,7aR)-5-acetoxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate CAS Name: (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate Traditional Name: (2S,5R,7aR)-5-acetoxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylic acid tert-butyl ester Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C(=C1)CC(N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@H]2C(=C1)C[C@H](N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H23NO4/c1-9(17)19-11-5-6-12-10(7-11)8-13(16-12)14(18)20-15(2,3)4/h7,11-13,16H,5-6,8H2,1-4H3/t11-,12-,13+/m1/s1