N-[(6-bromanyl-2,3-dimethoxy-phenyl)methyl]-2-(6-fluoranyl-1,3-benzodioxol-5-yl)ethanamine

Systemtic Name: N-[(6-bromanyl-2,3-dimethoxy-phenyl)methyl]-2-(6-fluoranyl-1,3-benzodioxol-5-yl)ethanamine Openeye Name: N-[(6-bromo-2,3-dimethoxy-phenyl)methyl]-2-(6-fluoro-1,3-benzodioxol-5-yl)ethanamine CAS Name: N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-2-(6-fluoro-1,3-benzodioxol-5-yl)ethanamine IUPAC Name: N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-2-(6-fluoro-1,3-benzodioxol-5-yl)ethanamine Traditional Name: (6-bromo-2,3-dimethoxy-benzyl)-[2-(6-fluoro-1,3-benzodioxol-5-yl)ethyl]amine Formula: C18H19BrFNO4 MolecularWeight: 412.250163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)CNCCC2=CC3=C(C=C2F)OCO3)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)CNCCC2=CC3=C(C=C2F)OCO3)OC

InChI

InChI=1S/C18H19BrFNO4/c1-22-15-4-3-13(19)12(18(15)23-2)9-21-6-5-11-7-16-17(8-14(11)20)25-10-24-16/h3-4,7-8,21H,5-6,9-10H2,1-2H3