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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoline-2-carboxylate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic 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 quinoline-2-carboxylate Traditional Name: quinaldic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C21H17N3O5/c1-26-14-8-9-15(18(11-14)27-2)20-23-19(29-24-20)12-28-21(25)17-10-7-13-5-3-4-6-16(13)22-17/h3-11H,12H2,1-2H3