1-[(6-bromanyl-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propanol IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-(homoveratrylamino)propan-2-ol Formula: C20H24BrNO6 MolecularWeight: 454.31166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=C3C(=C2)OCO3)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=C3C(=C2)OCO3)Br)O)OC

InChI

InChI=1S/C20H24BrNO6/c1-24-16-4-3-13(7-18(16)25-2)5-6-22-10-14(23)11-26-17-9-20-19(8-15(17)21)27-12-28-20/h3-4,7-9,14,22-23H,5-6,10-12H2,1-2H3