3-(4-imidazol-1-ylphenyl)-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-imidazol-1-ylphenyl)-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-imidazol-1-ylphenyl)-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-[4-(1-imidazolyl)phenyl]-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-(4-imidazol-1-ylphenyl)-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-(4-imidazol-1-ylphenyl)-3-keto-2,2-dimethyl-propionic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)N2C=CN=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)N2C=CN=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3/c1-14(2,13(18)19)12(17)10-3-5-11(6-4-10)16-8-7-15-9-16/h3-9H,1-2H3,(H,18,19)