2-(1,3-benzodioxol-5-yl)-N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethanamine Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-homopiperonyl-amine Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C18H20BrNO4/c1-21-16-8-13(14(19)9-17(16)22-2)10-20-6-5-12-3-4-15-18(7-12)24-11-23-15/h3-4,7-9,20H,5-6,10-11H2,1-2H3