[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,3,4-trimethoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-5-13-6-8-14(9-7-13)20-22-17(29-23-20)12-28-21(24)15-10-11-16(25-2)19(27-4)18(15)26-3/h6-11H,5,12H2,1-4H3