5-[4-fluoranyl-3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)-4-oxidanyl-butyl]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[4-fluoranyl-3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)-4-oxidanyl-butyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[4-fluoro-3-[4-hydroxy-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)butyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[4-fluoro-3-[4-hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[4-fluoro-3-[4-hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[3-(2-carbomethoxy-3-hydroxy-phenoxy)-4-hydroxy-butyl]-4-fluoro-phenyl]isoxazole-3-carboxylic acid Formula: C22H20FNO8 MolecularWeight: 445.394503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OC(CCC2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)F)CO)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OC(CCC2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)F)CO)O

InChI

InChI=1S/C22H20FNO8/c1-30-22(29)20-17(26)3-2-4-18(20)31-14(11-25)7-5-12-9-13(6-8-15(12)23)19-10-16(21(27)28)24-32-19/h2-4,6,8-10,14,25-26H,5,7,11H2,1H3,(H,27,28)