1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloranyl-3-methyl-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloranyl-3-methyl-phenoxy)propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloro-3-methyl-phenoxy)propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-chloro-3-methylphenoxy)-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloro-3-methylphenoxy)propan-2-ol Traditional Name: 1-(4-chloro-3-methyl-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-16-10-19(3-4-20(16)23)27-14-18(26)13-25-8-6-24(7-9-25)12-17-2-5-21-22(11-17)29-15-28-21/h2-5,10-11,18,26H,6-9,12-15H2,1H3