2-bromanyl-8-chloranyl-3-oxidanyl-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]octane-8-carboxylic acid

Systemtic Name: 2-bromanyl-8-chloranyl-3-oxidanyl-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]octane-8-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-2-bromo-8-chloro-3-hydroxy-5-azabicyclo[2.2.2]octane-8-carboxylic acid CAS Name: 2-bromo-8-chloro-3-hydroxy-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]octane-8-carboxylic acid IUPAC Name: 2-bromo-8-chloro-3-hydroxy-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]octane-8-carboxylic acid Traditional Name: 2-bromo-5-carbobenzoxy-8-chloro-3-hydroxy-5-azabicyclo[2.2.2]octane-8-carboxylic acid Formula: C16H17BrClNO5 MolecularWeight: 418.66688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(C1(C(=O)O)Cl)C(C2Br)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2CN(C(C1(C(=O)O)Cl)C(C2Br)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17BrClNO5/c17-11-10-6-16(18,14(21)22)13(12(11)20)19(7-10)15(23)24-8-9-4-2-1-3-5-9/h1-5,10-13,20H,6-8H2,(H,21,22)