(3,3-dimethyl-2-oxidanylidene-butyl) 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate CAS Name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate Traditional Name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-21(2,3)17(24)13-26-20(25)16-11-7-10-15(12-16)19-23-22-18(27-19)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3