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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-butoxybenzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-4-5-12-28-16-8-6-15(7-9-16)22(25)29-14-20-23-21(24-30-20)18-11-10-17(26-2)13-19(18)27-3/h6-11,13H,4-5,12,14H2,1-3H3