(4-pyrazol-1-ylphenyl)methyl (1S,5R)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (1S,5R)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: (1S,5R)-9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: (1S,5R)-9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H]2CC(C[C@H](C1)C2=O)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H22N2O3/c23-19-15-3-1-4-16(19)12-17(11-15)20(24)25-13-14-5-7-18(8-6-14)22-10-2-9-21-22/h2,5-10,15-17H,1,3-4,11-13H2/t15-,16+,17?