tert-butyl (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate

Systemtic Name: tert-butyl (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate Openeye Name: tert-butyl (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate CAS Name: (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate Traditional Name: (3aS,7aR)-3a-(1,3-benzodioxol-5-yl)-6-keto-2,3,7,7a-tetrahydroindole-1-carboxylic acid tert-butyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(C1CC(=O)C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1CC(=O)C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23NO5/c1-19(2,3)26-18(23)21-9-8-20(7-6-14(22)11-17(20)21)13-4-5-15-16(10-13)25-12-24-15/h4-7,10,17H,8-9,11-12H2,1-3H3/t17-,20-/m1/s1