[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrN3O3/c1-11(2)12-3-5-13(6-4-12)17-21-16(25-22-17)10-24-18(23)14-7-15(19)9-20-8-14/h3-9,11H,10H2,1-2H3