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

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]butan-2-ol Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]butan-2-ol CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-butanol IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]butan-2-ol Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-(homoveratrylamino)butan-2-ol Formula: C21H26BrNO6 MolecularWeight: 468.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=C(C=C2C(=C1)OCO2)Br)O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(COC1=C(C=C2C(=C1)OCO2)Br)O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26BrNO6/c1-13(23-7-6-14-4-5-17(25-2)19(8-14)26-3)16(24)11-27-18-10-21-20(9-15(18)22)28-12-29-21/h4-5,8-10,13,16,23-24H,6-7,11-12H2,1-3H3