3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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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(=C(N3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)C3=NC(=C(N3)C)C

InChI

InChI=1S/C23H23N3O5/c1-4-19(21(27)26-18-7-5-6-17(12-18)22(28)29)31-23(30)16-10-8-15(9-11-16)20-24-13(2)14(3)25-20/h5-12,19H,4H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)