6-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(5-bromo-2-methoxy-benzyl)-methyl-amino]methyl]sesamol Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1O)OCO2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN(CC1=CC2=C(C=C1O)OCO2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C17H18BrNO4/c1-19(9-12-5-13(18)3-4-15(12)21-2)8-11-6-16-17(7-14(11)20)23-10-22-16/h3-7,20H,8-10H2,1-2H3