(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c1-25-16-11-14(12-17(26-2)20(16)27-3)9-10-19(24)28-13-18-22-23-21(29-18)15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3