2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethanoylamino]propanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethanoylamino]propanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propanoic acid CAS Name: 2-(3,4-dimethoxyphenyl)-3-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propanoic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(homoveratroylamino)propionic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCC(C2=CC(=C(C=C2)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCC(C2=CC(=C(C=C2)OC)OC)C(=O)O)OC

InChI

InChI=1S/C21H25NO7/c1-26-16-7-5-13(9-18(16)28-3)10-20(23)22-12-15(21(24)25)14-6-8-17(27-2)19(11-14)29-4/h5-9,11,15H,10,12H2,1-4H3,(H,22,23)(H,24,25)