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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-benzamidobutanoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic 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 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)CC(C)NC(=O)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)CC(C)NC(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C22H22FN3O4/c1-13-9-10-17(12-18(13)23)20-25-22(30-26-20)15(3)29-19(27)11-14(2)24-21(28)16-7-5-4-6-8-16/h4-10,12,14-15H,11H2,1-3H3,(H,24,28)