4-[[4-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]piperazin-1-yl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1-piperazinyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperazin-1-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]piperazino]methyl]-2,6-ditert-butyl-phenol Formula: C28H40N2O4 MolecularWeight: 468.6282

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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=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C28H40N2O4/c1-27(2,3)21-13-19(14-22(26(21)32)28(4,5)6)16-29-9-11-30(12-10-29)17-23(31)20-7-8-24-25(15-20)34-18-33-24/h7-8,13-15,23,31-32H,9-12,16-18H2,1-6H3