4-[[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-dipentoxy-phenol

Systemtic Name: 4-[[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]-2,6-dipentoxy-phenol Openeye Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]methyl]-2,6-dipentoxy-phenol CAS Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperazinyl]methyl]-2,6-dipentoxyphenol IUPAC Name: 4-[[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]-2,6-dipentoxyphenol Traditional Name: 2,6-diamoxy-4-[[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazino]methyl]phenol Formula: C29H43FN2O4 MolecularWeight: 502.661123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1O)OCCCCC)CN2CCN(CC2)CC(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1O)OCCCCC)CN2CCN(CC2)CC(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C29H43FN2O4/c1-3-5-7-17-35-27-19-23(20-28(29(27)34)36-18-8-6-4-2)21-31-13-15-32(16-14-31)22-26(33)24-9-11-25(30)12-10-24/h9-12,19-20,26,33-34H,3-8,13-18,21-22H2,1-2H3