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

Systemtic Name: 5-[4-fluoranyl-3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[4-fluoro-3-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)butyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[4-fluoro-3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[4-fluoro-3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[3-(2-carbomethoxy-3-hydroxy-phenoxy)butyl]-4-fluoro-phenyl]isoxazole-3-carboxylic acid Formula: C22H20FNO7 MolecularWeight: 429.395103

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1)C2=CC(=NO2)C(=O)O)F)OC3=CC=CC(=C3C(=O)OC)O

Isomeric SMILES

CC(CCC1=C(C=CC(=C1)C2=CC(=NO2)C(=O)O)F)OC3=CC=CC(=C3C(=O)OC)O

InChI

InChI=1S/C22H20FNO7/c1-12(30-18-5-3-4-17(25)20(18)22(28)29-2)6-7-13-10-14(8-9-15(13)23)19-11-16(21(26)27)24-31-19/h3-5,8-12,25H,6-7H2,1-2H3,(H,26,27)