[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO4/c23-19(22-11-5-8-15-6-2-1-3-7-15)14-26-21(25)18-12-16-9-4-10-17(13-18)20(16)24/h1-3,6-7,16-18H,4-5,8-14H2,(H,22,23)