4-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]butanoate

Systemtic Name: 4-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]butanoate Openeye Name: 4-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]butanoate CAS Name: 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate IUPAC Name: 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate Traditional Name: 4-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]butyrate Formula: C13H12FN2O3- MolecularWeight: 263.244383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)[O-])F

InChI

InChI=1S/C13H13FN2O3/c1-8-5-6-9(7-10(8)14)13-15-11(19-16-13)3-2-4-12(17)18/h5-7H,2-4H2,1H3,(H,17,18)/p-1