tert-butyl (4aR,8aS)-6-oxidanylidene-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (4aR,8aS)-6-oxidanylidene-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (4aR,8aS)-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylate CAS Name: (4aR,8aS)-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4aR,8aS)-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylate Traditional Name: (4aR,8aS)-6-keto-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2CC(=O)C=CC2C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)C=C[C@H]2C1

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h4-5,10-11H,6-9H2,1-3H3/t10-,11+/m1/s1