tert-butyl (3aS,6aR)-2-(5-oxidanylpyridin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Systemtic Name: tert-butyl (3aS,6aR)-2-(5-oxidanylpyridin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate Openeye Name: tert-butyl (3aS,6aR)-2-(5-hydroxy-3-pyridyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate CAS Name: (3aS,6aR)-2-(5-hydroxy-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,6aR)-2-(5-hydroxypyridin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate Traditional Name: (3aS,6aR)-2-(5-hydroxy-3-pyridyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid tert-butyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CN(CC2C1)C3=CC(=CN=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]2C1)C3=CC(=CN=C3)O

InChI

InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-9-11-7-18(8-12(11)10-19)13-4-14(20)6-17-5-13/h4-6,11-12,20H,7-10H2,1-3H3/t11-,12+