[(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-bromanylbenzoate

Systemtic Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-bromanylbenzoate Openeye Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] ester Formula: C16H22BrNO2 MolecularWeight: 340.25538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(C)C[C@H]1CCCC[C@@H]1OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrNO2/c1-18(2)11-13-5-3-4-6-15(13)20-16(19)12-7-9-14(17)10-8-12/h7-10,13,15H,3-6,11H2,1-2H3/t13-,15+/m1/s1