tert-butyl 4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(3-bromophenoxy)methyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(3-bromophenoxy)methyl]-2-furoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O5/c1-21(2,3)29-20(26)24-11-9-23(10-12-24)19(25)18-8-7-17(28-18)14-27-16-6-4-5-15(22)13-16/h4-8,13H,9-12,14H2,1-3H3