2-methylpropyl 4-[[5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazol-3-yl]carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazol-3-yl]carbonylamino]benzoate Openeye Name: isobutyl 4-[[5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[5-(3-fluoro-4-methylphenyl)-3-isoxazolyl]-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carbonyl]amino]benzoic acid isobutyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)C(=O)OCC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)C(=O)OCC(C)C)F

InChI

InChI=1S/C22H21FN2O4/c1-13(2)12-28-22(27)15-6-8-17(9-7-15)24-21(26)19-11-20(29-25-19)16-5-4-14(3)18(23)10-16/h4-11,13H,12H2,1-3H3,(H,24,26)