[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-phenylbutanoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-phenylbutanoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-phenylbutanoate CAS Name: 3-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 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-14(15-7-5-4-6-8-15)11-20(24)27-13-19-22-21(23-28-19)16-9-10-17(25-2)18(12-16)26-3/h4-10,12,14H,11,13H2,1-3H3