(2-phenyl-1,3-oxazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (2-phenyloxazol-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (2-phenyloxazol-4-yl)methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=COC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21NO4/c22-18-14-7-4-8-15(18)10-16(9-14)20(23)25-12-17-11-24-19(21-17)13-5-2-1-3-6-13/h1-3,5-6,11,14-16H,4,7-10,12H2