tert-butyl (1S)-2,2-dicyano-1-(4-fluorophenyl)carbonyl-6-azaspiro[2.5]octane-6-carboxylate

Systemtic Name: tert-butyl (1S)-2,2-dicyano-1-(4-fluorophenyl)carbonyl-6-azaspiro[2.5]octane-6-carboxylate Openeye Name: tert-butyl (1S)-2,2-dicyano-1-(4-fluorobenzoyl)-6-azaspiro[2.5]octane-6-carboxylate CAS Name: (1S)-2,2-dicyano-1-[(4-fluorophenyl)-oxomethyl]-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-2,2-dicyano-1-(4-fluorobenzoyl)-6-azaspiro[2.5]octane-6-carboxylate Traditional Name: (1S)-2,2-dicyano-1-(4-fluorobenzoyl)-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester Formula: C21H22FN3O3 MolecularWeight: 383.416083

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O3/c1-19(2,3)28-18(27)25-10-8-20(9-11-25)17(21(20,12-23)13-24)16(26)14-4-6-15(22)7-5-14/h4-7,17H,8-11H2,1-3H3/t17-/m0/s1