4-[[4-[2-(4-bromophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[4-[2-(4-bromophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[4-[2-(4-bromophenyl)-2-hydroxy-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[4-[2-(4-bromophenyl)-2-hydroxyethyl]-1-piperazinyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[4-[2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[4-[2-(4-bromophenyl)-2-hydroxy-ethyl]piperazino]methyl]-2,6-ditert-butyl-phenol Formula: C27H39BrN2O2 MolecularWeight: 503.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C27H39BrN2O2/c1-26(2,3)22-15-19(16-23(25(22)32)27(4,5)6)17-29-11-13-30(14-12-29)18-24(31)20-7-9-21(28)10-8-20/h7-10,15-16,24,31-32H,11-14,17-18H2,1-6H3