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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CC=C3)OC

InChI

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