(5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-cyclohexen-1-olate CAS Name: (5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-1-cyclohexenolate IUPAC Name: (5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxocyclohexen-1-olate Traditional Name: (5R)-5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-keto-cyclohexen-1-olate Formula: C22H26N3O2- MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCC3=CN=CN3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H]2CC(=C(C(=O)C2)C=NCCC3=CN=CN3)[O-]

InChI

InChI=1S/C22H27N3O2/c1-22(2,3)17-6-4-15(5-7-17)16-10-20(26)19(21(27)11-16)13-23-9-8-18-12-24-14-25-18/h4-7,12-14,16,26H,8-11H2,1-3H3,(H,24,25)/p-1/t16-/m1/s1