(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 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 (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 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 (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)OCC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)OCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O6/c1-27-16-9-8-14(12-17(16)28-2)21-23-19(30-24-21)10-11-20(26)29-13-18(25)22-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)