ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazol-4-yl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazol-4-yl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-isoxazol-4-yl]-2-fluoro-benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-4-isoxazolyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazol-4-yl]-2-fluorobenzoate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-5-methyl-isoxazol-4-yl]-2-fluoro-benzoic acid ethyl ester Formula: C20H16FNO5 MolecularWeight: 369.343143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C)F

InChI

InChI=1S/C20H16FNO5/c1-3-24-20(23)14-6-4-12(8-15(14)21)18-11(2)27-22-19(18)13-5-7-16-17(9-13)26-10-25-16/h4-9H,3,10H2,1-2H3