3-(6-azanylpyridin-3-yl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-3-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-4-yl]propionic acid Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N)OC

InChI

InChI=1S/C22H22N6O5/c1-31-17-5-3-13(7-18(17)32-2)22-26-20(33-27-22)11-28-10-16(25-12-28)15(8-21(29)30)14-4-6-19(23)24-9-14/h3-7,9-10,12,15H,8,11H2,1-2H3,(H2,23,24)(H,29,30)