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

Systemtic Name: 2-[3-(4-cyanophenyl)-2-oxidanylidene-imidazol-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-(4-cyanophenyl)-2-oxo-imidazol-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[3-(4-cyanophenyl)-2-oxo-1-imidazolyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-(4-cyanophenyl)-2-oxoimidazol-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-(4-cyanophenyl)-2-keto-4-imidazolin-1-yl]-3,3-dimethyl-butyric acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)N1C=CN(C1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(C(=O)O)N1C=CN(C1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O3/c1-16(2,3)13(14(20)21)19-9-8-18(15(19)22)12-6-4-11(10-17)5-7-12/h4-9,13H,1-3H3,(H,20,21)