tert-butyl 4-[(5-bromanyl-2-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-bromanyl-2-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-bromo-2-hydroxy-phenyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-(4-methoxyphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-bromo-2-hydroxyphenyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(5-bromo-2-hydroxy-phenyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O4/c1-23(2,3)30-22(28)26-13-11-25(12-14-26)21(16-5-8-18(29-4)9-6-16)19-15-17(24)7-10-20(19)27/h5-10,15,21,27H,11-14H2,1-4H3