ethyl (1S,5R,6S)-8,8-dimethyl-3-oxidanylidene-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylate

Systemtic Name: ethyl (1S,5R,6S)-8,8-dimethyl-3-oxidanylidene-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylate Openeye Name: ethyl (1S,5R,6S)-8,8-dimethyl-3-oxo-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylate CAS Name: (1S,5R,6S)-8,8-dimethyl-3-oxo-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5R,6S)-8,8-dimethyl-3-oxo-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylate Traditional Name: (1S,5R,6S)-3-keto-8,8-dimethyl-5-phenyl-4-oxa-7-azabicyclo[3.2.1]octane-6-carboxylic acid ethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2(C(C(N1)CC(=O)O2)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@]2(C([C@@H](N1)CC(=O)O2)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO4/c1-4-21-15(20)14-17(11-8-6-5-7-9-11)16(2,3)12(18-14)10-13(19)22-17/h5-9,12,14,18H,4,10H2,1-3H3/t12-,14+,17-/m0/s1