tert-butyl 5-oxidanyl-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-oxidanyl-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-hydroxy-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate CAS Name: 5-hydroxy-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Traditional Name: 5-hydroxy-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CCC(C(C2C1)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CCC(C(C2C1)C3=CC=CC=C3)O

InChI

InChI=1S/C19H27NO3/c1-19(2,3)23-18(22)20-11-14-9-10-16(21)17(15(14)12-20)13-7-5-4-6-8-13/h4-8,14-17,21H,9-12H2,1-3H3