(2S)-2-[4-[3-(4-tert-butylphenoxy)phenyl]-2-oxidanylidene-1H-imidazol-3-yl]hexanoic acid

Systemtic Name: (2S)-2-[4-[3-(4-tert-butylphenoxy)phenyl]-2-oxidanylidene-1H-imidazol-3-yl]hexanoic acid Openeye Name: (2S)-2-[4-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-1H-imidazol-3-yl]hexanoic acid CAS Name: (2S)-2-[4-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-1H-imidazol-3-yl]hexanoic acid IUPAC Name: (2S)-2-[4-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-1H-imidazol-3-yl]hexanoic acid Traditional Name: (2S)-2-[5-[3-(4-tert-butylphenoxy)phenyl]-2-keto-4-imidazolin-1-yl]hexanoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=CNC1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)O)N1C(=CNC1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-5-6-10-21(23(28)29)27-22(16-26-24(27)30)17-8-7-9-20(15-17)31-19-13-11-18(12-14-19)25(2,3)4/h7-9,11-16,21H,5-6,10H2,1-4H3,(H,26,30)(H,28,29)/t21-/m0/s1