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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-propoxybenzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-4-11-27-15-7-5-14(6-8-15)21(24)28-13-19-22-20(23-29-19)17-10-9-16(25-2)12-18(17)26-3/h5-10,12H,4,11,13H2,1-3H3