3-[2-[azanyl-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[azanyl-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxy-phenyl]propanoic acid Openeye Name: 3-[2-[amino-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxy-phenyl]propanoic acid CAS Name: 3-[2-[amino-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[amino-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]propanoic acid Traditional Name: 3-[2-[amino-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxy-phenyl]propionic acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2CCC(=O)O)OC)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2CCC(=O)O)OC)OC)N)OC

InChI

InChI=1S/C20H25NO6/c1-24-15-7-5-13(10-16(15)25-2)20(21)14-11-18(27-4)17(26-3)9-12(14)6-8-19(22)23/h5,7,9-11,20H,6,8,21H2,1-4H3,(H,22,23)