tert-butyl 1,5-dimethyl-9-oxidanyl-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 1,5-dimethyl-9-oxidanyl-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-benzyl-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-hydroxy-1,5-dimethyl-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-benzyl-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-benzyl-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC12CN(CC(C1O)(CN(C2)C(=O)OC(C)(C)C)C)CC3=CC=CC=C3

Isomeric SMILES

CC12CN(CC(C1O)(CN(C2)C(=O)OC(C)(C)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O3/c1-19(2,3)26-18(25)23-14-20(4)12-22(11-16-9-7-6-8-10-16)13-21(5,15-23)17(20)24/h6-10,17,24H,11-15H2,1-5H3