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

Systemtic Name: tert-butyl (3aS,7aR)-3a-(7-methoxy-1,3-benzodioxol-5-yl)-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate Openeye Name: tert-butyl (3aS,7aR)-3a-(7-methoxy-1,3-benzodioxol-5-yl)-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate CAS Name: (3aS,7aR)-3a-(7-methoxy-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-(7-methoxy-1,3-benzodioxol-5-yl)-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate Traditional Name: (3aS,7aR)-6-keto-3a-(7-methoxy-1,3-benzodioxol-5-yl)-2,3,7,7a-tetrahydroindole-1-carboxylic acid tert-butyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-20(2,3)28-19(24)22-8-7-21(6-5-14(23)11-17(21)22)13-9-15(25-4)18-16(10-13)26-12-27-18/h5-6,9-10,17H,7-8,11-12H2,1-4H3/t17-,21-/m1/s1