tert-butyl (2S,3aR,7aR)-2-ethenyl-3a-oxidanyl-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate

Systemtic Name: tert-butyl (2S,3aR,7aR)-2-ethenyl-3a-oxidanyl-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate Openeye Name: tert-butyl (2S,3aR,7aR)-3a-hydroxy-6-oxo-2-vinyl-2,3,7,7a-tetrahydroindole-1-carboxylate CAS Name: (2S,3aR,7aR)-2-ethenyl-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3aR,7aR)-2-ethenyl-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate Traditional Name: (2S,3aR,7aR)-3a-hydroxy-6-keto-2-vinyl-2,3,7,7a-tetrahydroindole-1-carboxylic acid tert-butyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CC(=O)C=CC2(CC1C=C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC(=O)C=C[C@@]2(C[C@H]1C=C)O

InChI

InChI=1S/C15H21NO4/c1-5-10-9-15(19)7-6-11(17)8-12(15)16(10)13(18)20-14(2,3)4/h5-7,10,12,19H,1,8-9H2,2-4H3/t10-,12-,15+/m1/s1