tert-butyl 4-[2-(4-bromanylphenoxy)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-bromanylphenoxy)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-bromophenoxy)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-bromophenoxy)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-bromophenoxy)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromophenoxy)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN2O4/c1-13(24-15-7-5-14(19)6-8-15)16(22)20-9-11-21(12-10-20)17(23)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3