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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O6/c1-26-17-10-8-15(12-18(17)27-2)16(24)9-11-20(25)28-13-19-22-23-21(29-19)14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3