4-[[4-[3-(6-azanylpyridin-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[3-(6-azanylpyridin-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[1-[(6-amino-3-pyridyl)methyl]-2-hydroxy-2-oxo-ethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[3-(6-amino-3-pyridinyl)-1-hydroxy-1-oxopropan-2-yl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-[3-(6-aminopyridin-3-yl)-1-hydroxy-1-oxopropan-2-yl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[1-[(6-amino-3-pyridyl)methyl]-2-hydroxy-2-keto-ethyl]imidazol-1-yl]methyl]benzoic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N4O4/c20-17-6-3-13(8-21-17)7-15(19(26)27)16-10-23(11-22-16)9-12-1-4-14(5-2-12)18(24)25/h1-6,8,10-11,15H,7,9H2,(H2,20,21)(H,24,25)(H,26,27)