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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-3-[1-[[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(3,4-dichlorophenyl)isoxazol-3-yl]methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-3-[1-[[5-(3,4-dichlorophenyl)-3-isoxazolyl]methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-3-[1-[[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-3-[1-[[5-(3,4-dichlorophenyl)isoxazol-3-yl]methyl]imidazol-4-yl]propionic acid Formula: C21H17Cl2N5O3 MolecularWeight: 458.29738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=NO2)CN3C=C(N=C3)C(CC(=O)O)C4=CN=C(C=C4)N)Cl)Cl

InChI

InChI=1S/C21H17Cl2N5O3/c22-16-3-1-12(5-17(16)23)19-6-14(27-31-19)9-28-10-18(26-11-28)15(7-21(29)30)13-2-4-20(24)25-8-13/h1-6,8,10-11,15H,7,9H2,(H2,24,25)(H,29,30)