tert-butyl (1R)-1-(1-adamantylcarbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate

Systemtic Name: tert-butyl (1R)-1-(1-adamantylcarbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate Openeye Name: tert-butyl (1R)-1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate CAS Name: (1R)-1-[1-adamantyl(oxo)methyl]-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate Traditional Name: (1R)-1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O3/c1-22(2,3)31-21(30)28-6-4-24(5-7-28)19(25(24,14-26)15-27)20(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h16-19H,4-13H2,1-3H3/t16?,17?,18?,19-,23?/m1/s1