N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine phosphate

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine phosphate Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-phenyl-2H-benzofuran-3-yl)propan-1-amine phosphate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-phenyl-2H-benzofuran-3-yl)-1-propanamine phosphate IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine phosphate Traditional Name: homoveratryl-methyl-[3-(3-phenylcoumaran-3-yl)propyl]amine phosphate Formula: C28H33NO7P-3 MolecularWeight: 526.537881

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN(CCCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C28H33NO3.H3O4P/c1-29(19-16-22-14-15-26(30-2)27(20-22)31-3)18-9-17-28(23-10-5-4-6-11-23)21-32-25-13-8-7-12-24(25)28;1-5(2,3)4/h4-8,10-15,20H,9,16-19,21H2,1-3H3;(H3,1,2,3,4)/p-3