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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-cyanobenzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-cyanobenzoate CAS Name: 4-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 4-cyanobenzoate Traditional Name: 4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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