4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butanoic acid CAS Name: 4-[4-(4-chlorophenyl)phenoxy]-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutanoic acid IUPAC Name: 4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutanoic acid Traditional Name: 4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyric acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O4/c1-21(2,20(26)27)18(25)19(24-12-11-23-13-24)28-17-9-5-15(6-10-17)14-3-7-16(22)8-4-14/h3-13,19H,1-2H3,(H,26,27)