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

Systemtic Name: 3-[(1R,5S)-3-oxidanylidene-8-azabicyclo[3.2.1]octan-8-yl]propyl pyridine-3-carboxylate Openeye Name: 3-[(1R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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 pyridine-3-carboxylate Traditional Name: nicotinic acid 3-[(1R,5S)-3-keto-8-azabicyclo[3.2.1]octan-8-yl]propyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=O)CC1N2CCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c19-15-9-13-4-5-14(10-15)18(13)7-2-8-21-16(20)12-3-1-6-17-11-12/h1,3,6,11,13-14H,2,4-5,7-10H2/t13-,14+