(4-bromanyl-3,5-dimethyl-phenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

Systemtic Name: (4-bromanyl-3,5-dimethyl-phenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Openeye Name: (4-bromo-3,5-dimethyl-phenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate CAS Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (4-bromo-3,5-dimethylphenyl) ester IUPAC Name: (4-bromo-3,5-dimethylphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Traditional Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (4-bromo-3,5-dimethyl-phenyl) ester Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OC(=O)N2CCN3CCC2CC3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OC(=O)N2CCN3CCC2CC3

InChI

InChI=1S/C16H21BrN2O2/c1-11-9-14(10-12(2)15(11)17)21-16(20)19-8-7-18-5-3-13(19)4-6-18/h9-10,13H,3-8H2,1-2H3