N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxy-3-phenyl-2H-1-benzofuran-3-yl)-N-methyl-propan-1-amine phosphate

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxy-3-phenyl-2H-1-benzofuran-3-yl)-N-methyl-propan-1-amine phosphate Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxy-3-phenyl-2H-benzofuran-3-yl)-N-methyl-propan-1-amine phosphate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxy-3-phenyl-2H-benzofuran-3-yl)-N-methyl-1-propanamine phosphate IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxy-3-phenyl-2H-1-benzofuran-3-yl)-N-methylpropan-1-amine phosphate Traditional Name: homoveratryl-[3-(5-methoxy-3-phenyl-coumaran-3-yl)propyl]-methyl-amine phosphate Formula: C29H35NO8P-3 MolecularWeight: 556.563861

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(COC2=C1C=C(C=C2)OC)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN(CCCC1(COC2=C1C=C(C=C2)OC)C3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C29H35NO4.H3O4P/c1-30(18-15-22-11-13-27(32-3)28(19-22)33-4)17-8-16-29(23-9-6-5-7-10-23)21-34-26-14-12-24(31-2)20-25(26)29;1-5(2,3)4/h5-7,9-14,19-20H,8,15-18,21H2,1-4H3;(H3,1,2,3,4)/p-3