tert-butyl 4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C19H27BrN2O4/c1-19(2,3)26-18(24)22-11-9-21(10-12-22)17(23)8-6-14-5-7-16(25-4)15(20)13-14/h5,7,13H,6,8-12H2,1-4H3