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

Systemtic Name: 3-[(1R,5S)-3-oxidanylidene-8-azabicyclo[3.2.1]octan-8-yl]propyl 4-bromanylbenzoate Openeye Name: 3-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]propyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 3-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]propyl ester IUPAC Name: 3-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]propyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-[(1R,5S)-3-keto-8-azabicyclo[3.2.1]octan-8-yl]propyl ester Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=O)CC1N2CCCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@H]2CC(=O)C[C@@H]1N2CCCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrNO3/c18-13-4-2-12(3-5-13)17(21)22-9-1-8-19-14-6-7-15(19)11-16(20)10-14/h2-5,14-15H,1,6-11H2/t14-,15+