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

Systemtic Name: 4-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]carbonyloxypropanoylamino]benzoic acid Openeye Name: 4-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid CAS Name: 4-[[2-[[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid Traditional Name: 4-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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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=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-12-13(2)24-19(23-12)15-4-6-17(7-5-15)22(29)30-14(3)20(26)25-18-10-8-16(9-11-18)21(27)28/h4-11,14H,1-3H3,(H,23,24)(H,25,26)(H,27,28)