tert-butyl (1S,4S,5S)-3-oxidanylidene-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

Systemtic Name: tert-butyl (1S,4S,5S)-3-oxidanylidene-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate Openeye Name: tert-butyl (1S,4S,5S)-3-oxo-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate CAS Name: (1S,4S,5S)-3-oxo-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S,5S)-3-oxo-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate Traditional Name: (1S,4S,5S)-3-keto-4-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid tert-butyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CC(=O)C(C1C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2CC(=O)[C@H]([C@@H]1C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-13-9-10-14(19)16(15(20)11-13)12-7-5-4-6-8-12/h4-10,13-14,16H,11H2,1-3H3/t13-,14+,16+/m1/s1