N-[(5-bromanyl-3,4-dimethoxy-2-phenylmethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine

Systemtic Name: N-[(5-bromanyl-3,4-dimethoxy-2-phenylmethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Openeye Name: N-[(2-benzyloxy-5-bromo-3,4-dimethoxy-phenyl)methyl]benzo[f][1,3]benzodioxol-5-amine CAS Name: N-[(5-bromo-3,4-dimethoxy-2-phenylmethoxyphenyl)methyl]-5-benzo[f][1,3]benzodioxolamine IUPAC Name: N-[(5-bromo-3,4-dimethoxy-2-phenylmethoxyphenyl)methyl]benzo[f][1,3]benzodioxol-5-amine Traditional Name: benzo[f][1,3]benzodioxol-5-yl-(2-benzoxy-5-bromo-3,4-dimethoxy-benzyl)amine Formula: C27H24BrNO5 MolecularWeight: 522.38716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1OC)OCC2=CC=CC=C2)CNC3=CC=CC4=CC5=C(C=C43)OCO5)Br

Isomeric SMILES

COC1=C(C=C(C(=C1OC)OCC2=CC=CC=C2)CNC3=CC=CC4=CC5=C(C=C43)OCO5)Br

InChI

InChI=1S/C27H24BrNO5/c1-30-26-21(28)11-19(25(27(26)31-2)32-15-17-7-4-3-5-8-17)14-29-22-10-6-9-18-12-23-24(13-20(18)22)34-16-33-23/h3-13,29H,14-16H2,1-2H3