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

Systemtic Name: 4-chloranyl-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]carbonyloxypropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)C

InChI

InChI=1S/C22H20ClN3O5/c1-11-12(2)25-19(24-11)14-4-6-15(7-5-14)22(30)31-13(3)20(27)26-18-10-16(21(28)29)8-9-17(18)23/h4-10,13H,1-3H3,(H,24,25)(H,26,27)(H,28,29)