4-(4-chloranylphenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxo-butanoic acid CAS Name: 4-(4-chlorophenoxy)-2-ethyl-4-(1-imidazolyl)-2-methyl-3-oxobutanoic acid IUPAC Name: 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoic acid Traditional Name: 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-3-keto-2-methyl-butyric acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O4/c1-3-16(2,15(21)22)13(20)14(19-9-8-18-10-19)23-12-6-4-11(17)5-7-12/h4-10,14H,3H2,1-2H3,(H,21,22)