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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoline-2-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O3/c1-2-14-7-9-16(10-8-14)20-23-19(27-24-20)13-26-21(25)18-12-11-15-5-3-4-6-17(15)22-18/h3-12H,2,13H2,1H3