2,2,2-tris(chloranyl)ethyl (1R,5S)-3-(4-ethylphenyl)carbonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (1R,5S)-3-(4-ethylphenyl)carbonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: 2,2,2-trichloroethyl (1R,5S)-3-(4-ethylbenzoyl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,5S)-3-[(4-ethylphenyl)-oxomethoxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (1R,5S)-3-(4-ethylbenzoyl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,5S)-3-(4-ethylbenzoyl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid 2,2,2-trichloroethyl ester Formula: C19H22Cl3NO4 MolecularWeight: 434.74128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)N3C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C19H22Cl3NO4/c1-2-12-3-5-13(6-4-12)17(24)27-16-9-14-7-8-15(10-16)23(14)18(25)26-11-19(20,21)22/h3-6,14-16H,2,7-11H2,1H3/t14-,15+,16?