2-[4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-(2-fluoro-4-methoxy-benzyl)piperazin-2-yl]ethanol Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4)F

InChI

InChI=1S/C22H27FN2O4/c1-27-19-6-5-16(20(23)11-19)13-25-9-8-24(14-18(25)7-10-26)12-17-3-2-4-21-22(17)29-15-28-21/h2-6,11,18,26H,7-10,12-15H2,1H3