3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-3-phenyl-2H-1-benzofuran-2-ol phosphate

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-3-phenyl-2H-1-benzofuran-2-ol phosphate Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-3-phenyl-2H-benzofuran-2-ol phosphate CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-5,6-dimethoxy-3-phenyl-2H-benzofuran-2-ol phosphate IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-5,6-dimethoxy-3-phenyl-2H-1-benzofuran-2-ol phosphate Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-5,6-dimethoxy-3-phenyl-coumaran-2-ol phosphate Formula: C30H37NO10P-3 MolecularWeight: 602.589241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C(OC2=CC(=C(C=C21)OC)OC)O)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN(CCCC1(C(OC2=CC(=C(C=C21)OC)OC)O)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C30H37NO6.H3O4P/c1-31(17-14-21-12-13-24(33-2)26(18-21)34-3)16-9-15-30(22-10-7-6-8-11-22)23-19-27(35-4)28(36-5)20-25(23)37-29(30)32;1-5(2,3)4/h6-8,10-13,18-20,29,32H,9,14-17H2,1-5H3;(H3,1,2,3,4)/p-3