[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H16BrN3O3/c22-16-6-3-5-15(12-16)21-24-19(28-25-21)13-27-20(26)11-10-17-9-8-14-4-1-2-7-18(14)23-17/h1-9,12H,10-11,13H2