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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-phenylbutanoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-phenylbutanoate CAS Name: 2-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 2-phenylbutanoate Traditional Name: 2-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:

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-4-16(14-8-6-5-7-9-14)21(24)27-13-19-22-20(23-28-19)15-10-11-17(25-2)18(12-15)26-3/h5-12,16H,4,13H2,1-3H3