1-[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]-3-(4-chloranylphenoxy)propan-2-ol

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl(p-tolylmethyl)amino]-3-(4-chlorophenoxy)propan-2-ol CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]-3-(4-chlorophenoxy)-2-propanol IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3-[(4-methylbenzyl)-piperonyl-amino]propan-2-ol Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C25H26ClNO4/c1-18-2-4-19(5-3-18)13-27(14-20-6-11-24-25(12-20)31-17-30-24)15-22(28)16-29-23-9-7-21(26)8-10-23/h2-12,22,28H,13-17H2,1H3