2-[(1R,5S)-3-oxidanylidene-8-azabicyclo[3.2.1]octan-8-yl]ethyl 4-bromanylbenzoate

Systemtic Name: 2-[(1R,5S)-3-oxidanylidene-8-azabicyclo[3.2.1]octan-8-yl]ethyl 4-bromanylbenzoate Openeye Name: 2-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]ethyl ester IUPAC Name: 2-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-[(1R,5S)-3-keto-8-azabicyclo[3.2.1]octan-8-yl]ethyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=O)CC1N2CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@H]2CC(=O)C[C@@H]1N2CCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrNO3/c17-12-3-1-11(2-4-12)16(20)21-8-7-18-13-5-6-14(18)10-15(19)9-13/h1-4,13-14H,5-10H2/t13-,14+