tert-butyl (1S,2S,5R)-2-ethanoyl-4-phenylselanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1S,2S,5R)-2-ethanoyl-4-phenylselanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1S,2S,5R)-2-acetyl-4-phenylselanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,2S,5R)-2-acetyl-4-(phenylseleno)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S,5R)-2-acetyl-4-phenylselanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,2S,5R)-2-acetyl-4-(phenylseleno)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C20H27NO3Se MolecularWeight: 408.39328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C2CCC1N2C(=O)OC(C)(C)C)[Se]C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H]1CC([C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[Se]C3=CC=CC=C3

InChI

InChI=1S/C20H27NO3Se/c1-13(22)15-12-18(25-14-8-6-5-7-9-14)17-11-10-16(15)21(17)19(23)24-20(2,3)4/h5-9,15-18H,10-12H2,1-4H3/t15-,16+,17-,18?/m1/s1