tert-butyl 9-(4-chlorophenyl)carbonyloxy-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 9-(4-chlorophenyl)carbonyloxy-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 9-(4-chlorobenzoyl)oxy-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-[(4-chlorophenyl)-oxomethoxy]-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(4-chlorobenzoyl)oxy-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-(4-chlorobenzoyl)oxy-7-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H27ClN2O4/c1-20(2,3)27-19(25)23-11-14-9-22(4)10-15(12-23)17(14)26-18(24)13-5-7-16(21)8-6-13/h5-8,14-15,17H,9-12H2,1-4H3