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

Systemtic Name: (phenylmethyl) 5-acetyloxy-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl 5-acetoxy-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: 5-acetyloxy-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-acetyloxy-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: 5-acetoxy-2-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CC1N(C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C2CC1N(C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21NO4/c1-14(23)26-20-17-12-18(20)22(19(17)16-10-6-3-7-11-16)21(24)25-13-15-8-4-2-5-9-15/h2-11,17-20H,12-13H2,1H3