N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-homoveratryl-amine Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2Br)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2Br)OCO3)OC

InChI

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