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

Systemtic Name: tert-butyl 2,2-dicyano-1-(phenylcarbonyl)-6-azaspiro[2.5]octane-6-carboxylate Openeye Name: tert-butyl 1-benzoyl-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate CAS Name: 1-benzoyl-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzoyl-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate Traditional Name: 1-benzoyl-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-19(2,3)27-18(26)24-11-9-20(10-12-24)17(21(20,13-22)14-23)16(25)15-7-5-4-6-8-15/h4-8,17H,9-12H2,1-3H3