tert-butyl (3aR,7aS)-7-oxidanylidene-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl (3aR,7aS)-7-oxidanylidene-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylate Openeye Name: tert-butyl (3aR,7aS)-7-oxo-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylate CAS Name: (3aR,7aS)-7-oxo-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,7aS)-7-oxo-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylate Traditional Name: (3aR,7aS)-7-keto-3,3a,4,7a-tetrahydro-1H-isoindole-2-carboxylic acid tert-butyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC=CC(=O)C2C1

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2CC=CC(=O)[C@@H]2C1

InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h4,6,9-10H,5,7-8H2,1-3H3/t9-,10+/m0/s1