[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl anthracene-9-carboxylate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl anthracene-9-carboxylate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic 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 anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)OC

InChI

InChI=1S/C26H20N2O5/c1-30-18-11-12-21(22(14-18)31-2)25-27-23(33-28-25)15-32-26(29)24-19-9-5-3-7-16(19)13-17-8-4-6-10-20(17)24/h3-14H,15H2,1-2H3