3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)-m-anisyl-amino]propionic acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N2O7/c1-27-16-6-4-5-14(9-16)12-21(8-7-20(23)24)13-15-10-18(28-2)19(29-3)11-17(15)22(25)26/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24)