3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]cyclohex-2-en-1-one

Systemtic Name: 3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]cyclohex-2-en-1-one Openeye Name: 3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]cyclohex-2-en-1-one CAS Name: 3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]-1-cyclohex-2-enone IUPAC Name: 3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]cyclohex-2-en-1-one Traditional Name: 3-[(1S,2S,3R,4R)-2-(2-phenylethynyl)-3-bicyclo[2.2.1]hept-5-enyl]cyclohex-2-en-1-one Formula: C21H20O MolecularWeight: 288.3829

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)C2C3CC(C2C#CC4=CC=CC=C4)C=C3

Isomeric SMILES

C1CC(=CC(=O)C1)[C@@H]2[C@@H]3C[C@H]([C@@H]2C#CC4=CC=CC=C4)C=C3

InChI

InChI=1S/C21H20O/c22-19-8-4-7-17(14-19)21-18-11-10-16(13-18)20(21)12-9-15-5-2-1-3-6-15/h1-3,5-6,10-11,14,16,18,20-21H,4,7-8,13H2/t16-,18+,20+,21-/m1/s1