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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-phenylbutanoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C2=NC(=NO2)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC(C)C2=NC(=NO2)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H21FN2O3/c1-4-17(15-8-6-5-7-9-15)21(25)26-14(3)20-23-19(24-27-20)16-11-10-13(2)18(22)12-16/h5-12,14,17H,4H2,1-3H3