phenacyl 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: phenacyl 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: phenacyl 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propionic acid phenacyl 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)CCC(=O)OCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

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