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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-4-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-4-carboxylate CAS Name: 4-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 pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-12(2)13-3-5-14(6-4-13)17-20-16(24-21-17)11-23-18(22)15-7-9-19-10-8-15/h3-10,12H,11H2,1-2H3