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

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-5-methoxy-3-phenyl-2H-1-benzofuran-2-ol phosphate Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-5-methoxy-3-phenyl-2H-benzofuran-2-ol phosphate CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-5-methoxy-3-phenyl-2H-benzofuran-2-ol phosphate IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-5-methoxy-3-phenyl-2H-1-benzofuran-2-ol phosphate Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-5-methoxy-3-phenyl-coumaran-2-ol phosphate Formula: C29H35NO9P-3 MolecularWeight: 572.563261

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C(OC2=C1C=C(C=C2)OC)O)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN(CCCC1(C(OC2=C1C=C(C=C2)OC)O)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C29H35NO5.H3O4P/c1-30(18-15-21-11-13-26(33-3)27(19-21)34-4)17-8-16-29(22-9-6-5-7-10-22)24-20-23(32-2)12-14-25(24)35-28(29)31;1-5(2,3)4/h5-7,9-14,19-20,28,31H,8,15-18H2,1-4H3;(H3,1,2,3,4)/p-3