ditert-butyl (5S,6R)-2-ethanoyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylate

Systemtic Name: ditert-butyl (5S,6R)-2-ethanoyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylate Openeye Name: ditert-butyl (5S,6R)-2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylate CAS Name: (5S,6R)-2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (5S,6R)-2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylate Traditional Name: (5S,6R)-2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5,6-dicarboxylic acid ditert-butyl ester Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C1)CC(C(C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CC2=C(C1)C[C@@H]([C@@H](C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO5/c1-12(22)21-10-13-8-15(17(23)25-19(2,3)4)16(9-14(13)11-21)18(24)26-20(5,6)7/h15-16H,8-11H2,1-7H3/t15-,16+