(phenylmethyl) 6-acetyloxy-5-bromanyl-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) 6-acetyloxy-5-bromanyl-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl 6-acetoxy-5-bromo-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: 6-acetyloxy-5-bromo-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-acetyloxy-5-bromo-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: 6-acetoxy-5-bromo-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(C1N(C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)Br

Isomeric SMILES

CC(=O)OC1C2C(C1N(C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C21H20BrNO4/c1-13(24)27-20-16-17(22)19(20)23(18(16)15-10-6-3-7-11-15)21(25)26-12-14-8-4-2-5-9-14/h2-11,16-20H,12H2,1H3