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

Systemtic Name: 4-chloranyl-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxybutanoylamino]benzoic acid Formula: C23H22ClN3O5 MolecularWeight: 455.89088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O5/c1-4-19(21(28)27-18-11-16(22(29)30)9-10-17(18)24)32-23(31)15-7-5-14(6-8-15)20-25-12(2)13(3)26-20/h5-11,19H,4H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)