tert-butyl 4-(4-bromanyl-2-methoxycarbonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-bromanyl-2-methoxycarbonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromo-2-methoxycarbonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-bromo-2-methoxycarbonylphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-2-methoxycarbonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-bromo-2-carbomethoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O5/c1-18(2,3)26-17(24)21-9-7-20(8-10-21)15(22)13-6-5-12(19)11-14(13)16(23)25-4/h5-6,11H,7-10H2,1-4H3