2,2,2-tris(chloranyl)ethyl (1R,5S)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (1R,5S)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: 2,2,2-trichloroethyl (1R,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (1R,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H18Cl3NO4 MolecularWeight: 406.68812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C(=O)OCC(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]2CC(C[C@@H]1N2C(=O)OCC(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18Cl3NO4/c18-17(19,20)10-24-16(23)21-12-6-7-13(21)9-14(8-12)25-15(22)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-,13+,14?