[2-(1H-imidazol-2-yl)-2-oxidanylidene-ethyl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [2-(1H-imidazol-2-yl)-2-oxidanylidene-ethyl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [2-(1H-imidazol-2-yl)-2-oxo-ethyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [2-(1H-imidazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-imidazol-2-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [2-(1H-imidazol-2-yl)-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC(=O)C2=NC=CN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC(=O)C2=NC=CN2

InChI

InChI=1S/C20H26N2O4/c1-19(2,3)13-9-12(10-14(16(13)24)20(4,5)6)18(25)26-11-15(23)17-21-7-8-22-17/h7-10,24H,11H2,1-6H3,(H,21,22)