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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-pyrrole-2-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic 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 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CN3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CN3

InChI

InChI=1S/C17H17N3O3/c1-11(2)12-5-7-13(8-6-12)16-19-15(23-20-16)10-22-17(21)14-4-3-9-18-14/h3-9,11,18H,10H2,1-2H3