(1-cyanoindolizin-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H20N2O3/c21-10-17-16(11-22-7-2-1-6-18(17)22)12-25-20(24)15-8-13-4-3-5-14(9-15)19(13)23/h1-2,6-7,11,13-15H,3-5,8-9,12H2