N-[(6-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine

Systemtic Name: N-[(6-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Openeye Name: N-[(2-benzyloxy-6-bromo-3-methoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine CAS Name: N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-5-benzo[f][1,3]benzodioxolamine IUPAC Name: N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Traditional Name: benzo[f][1,3]benzodioxol-5-yl-(2-benzoxy-6-bromo-3-methoxy-benzyl)amine Formula: C26H22BrNO4 MolecularWeight: 492.36118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)CNC2=CC=CC3=CC4=C(C=C32)OCO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)CNC2=CC=CC3=CC4=C(C=C32)OCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H22BrNO4/c1-29-23-11-10-21(27)20(26(23)30-15-17-6-3-2-4-7-17)14-28-22-9-5-8-18-12-24-25(13-19(18)22)32-16-31-24/h2-13,28H,14-16H2,1H3