ditert-butyl (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate

Systemtic Name: ditert-butyl (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate Openeye Name: ditert-butyl (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate CAS Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate Traditional Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylic acid ditert-butyl ester Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CN(C2C1CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CN([C@@H]2[C@@H]1CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H30N2O4/c1-16(2,3)22-14(20)18-11-19(15(21)23-17(4,5)6)13-10-8-7-9-12(13)18/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1