(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O4/c1-14-8-9-17(12-15(14)2)18(24)10-11-20(25)26-13-19-22-23-21(27-19)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3