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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-piperonyloxy-propan-2-ol Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC4=C(C=C3)OCO4)O

InChI

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