ethyl (1S,2R,4R,5R,7S)-5-bromanyl-3-ethanoyl-7-phenylselanyl-3-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: ethyl (1S,2R,4R,5R,7S)-5-bromanyl-3-ethanoyl-7-phenylselanyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: ethyl (1S,2R,4R,5R,7S)-3-acetyl-5-bromo-7-phenylselanyl-3-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1S,2R,4R,5R,7S)-3-acetyl-5-bromo-7-(phenylseleno)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,4R,5R,7S)-3-acetyl-5-bromo-7-phenylselanyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1S,2R,4R,5R,7S)-3-acetyl-5-bromo-7-(phenylseleno)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester Formula: C17H20BrNO3Se MolecularWeight: 445.2096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC(C(C2[Se]C3=CC=CC=C3)N1C(=O)C)Br

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@@H]([C@H]2[Se]C3=CC=CC=C3)N1C(=O)C)Br

InChI

InChI=1S/C17H20BrNO3Se/c1-3-22-17(21)14-12-9-13(18)15(19(14)10(2)20)16(12)23-11-7-5-4-6-8-11/h4-8,12-16H,3,9H2,1-2H3/t12-,13+,14+,15-,16-/m0/s1