tert-butyl 4-[(2-bromanyl-4-ethoxycarbonyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-bromanyl-4-ethoxycarbonyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-bromo-4-ethoxycarbonyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4-ethoxycarbonylphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-bromo-4-ethoxycarbonylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4-carbethoxy-benzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CN2CCN(CC2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CN2CCN(CC2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C19H27BrN2O4/c1-5-25-17(23)14-6-7-15(16(20)12-14)13-21-8-10-22(11-9-21)18(24)26-19(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3