[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloranylpyridine-3-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-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 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3/c1-11(2)12-3-5-13(6-4-12)17-21-16(25-22-17)10-24-18(23)14-7-8-15(19)20-9-14/h3-9,11H,10H2,1-2H3