tert-butyl (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

Systemtic Name: tert-butyl (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Openeye Name: tert-butyl (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate CAS Name: (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Traditional Name: (3aS,4S,6S,6aR)-4-(1H-benzimidazol-2-yl)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(C2O1)C3=NC4=CC=CC=C4N3)C(=O)OC(C)(C)C)CCO)C

Isomeric SMILES

CC1(O[C@@H]2[C@@H](N([C@H]([C@@H]2O1)C3=NC4=CC=CC=C4N3)C(=O)OC(C)(C)C)CCO)C

InChI

InChI=1S/C21H29N3O5/c1-20(2,3)29-19(26)24-14(10-11-25)16-17(28-21(4,5)27-16)15(24)18-22-12-8-6-7-9-13(12)23-18/h6-9,14-17,25H,10-11H2,1-5H3,(H,22,23)/t14-,15+,16+,17-/m0/s1