tert-butyl 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H31BrN2O5/c1-21(2,3)29-20(26)24-10-6-7-15(13-24)19(25)23-9-8-14-11-17(27-4)18(28-5)12-16(14)22/h11-12,15H,6-10,13H2,1-5H3,(H,23,25)