[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O6/c1-25-15-8-14(9-16(26-2)18(15)27-3)19-23-22-17(29-19)11-28-20(24)13-6-4-12(10-21)5-7-13/h4-9H,11H2,1-3H3