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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-cyanobenzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-13(2)15-6-8-16(9-7-15)19-22-18(26-23-19)12-25-20(24)17-5-3-4-14(10-17)11-21/h3-10,13H,12H2,1-2H3