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

Systemtic Name: ethyl (1R)-1-(1-adamantylcarbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-2-29-20(28)26-5-3-22(4-6-26)18(23(22,13-24)14-25)19(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-18H,2-12H2,1H3/t15?,16?,17?,18-,21?/m1/s1