(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-phenyl-pentanoate

Systemtic Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-phenyl-pentanoate Openeye Name: [3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-3-14(2)18(15-8-5-4-6-9-15)20(24)25-13-17-22-19(23-26-17)16-10-7-11-21-12-16/h4-12,14,18H,3,13H2,1-2H3