3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol

Systemtic Name: 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol Openeye Name: 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol IUPAC Name: 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol Traditional Name: 3-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-7-tert-butyl-1,4-benzodioxin-6-ol Formula: C30H32F2N2O3 MolecularWeight: 506.583486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1O)OC(=CO2)CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1O)OC(=CO2)CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32F2N2O3/c1-30(2,3)25-16-27-28(17-26(25)35)37-24(19-36-27)18-33-12-14-34(15-13-33)29(20-4-8-22(31)9-5-20)21-6-10-23(32)11-7-21/h4-11,16-17,19,29,35H,12-15,18H2,1-3H3