(4-propan-2-ylphenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (4-isopropylphenyl)methyl 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid (4-isopropylbenzyl) ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C20H21N3O3/c1-14(2)16-8-6-15(7-9-16)13-25-19(24)11-10-18-22-20(23-26-18)17-5-3-4-12-21-17/h3-9,12,14H,10-11,13H2,1-2H3