methyl (1S,6S)-2-oxidanylidene-9-(phenylcarbonyl)-9-azabicyclo[4.2.1]nonane-6-carboxylate

Systemtic Name: methyl (1S,6S)-2-oxidanylidene-9-(phenylcarbonyl)-9-azabicyclo[4.2.1]nonane-6-carboxylate Openeye Name: methyl (1S,6S)-9-benzoyl-2-oxo-9-azabicyclo[4.2.1]nonane-6-carboxylate CAS Name: (1S,6S)-9-benzoyl-2-oxo-9-azabicyclo[4.2.1]nonane-6-carboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-9-benzoyl-2-oxo-9-azabicyclo[4.2.1]nonane-6-carboxylate Traditional Name: (1S,6S)-9-benzoyl-2-keto-9-azabicyclo[4.2.1]nonane-6-carboxylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCCC(=O)C(N1C(=O)C3=CC=CC=C3)CC2

Isomeric SMILES

COC(=O)[C@@]12CCCC(=O)[C@@H](N1C(=O)C3=CC=CC=C3)CC2

InChI

InChI=1S/C17H19NO4/c1-22-16(21)17-10-5-8-14(19)13(9-11-17)18(17)15(20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,17-/m0/s1