3-[2-[4-(1H-imidazol-2-yl)phenyl]carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(1H-imidazol-2-yl)phenyl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 3-[2-[4-(1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[4-(1H-imidazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[4-(1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)C3=NC=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)C3=NC=CN3

InChI

InChI=1S/C21H19N3O5/c1-2-17(19(25)24-16-5-3-4-15(12-16)20(26)27)29-21(28)14-8-6-13(7-9-14)18-22-10-11-23-18/h3-12,17H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)