2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)-3-isoxazolyl]methoxy]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]phenoxy]acetic acid Formula: C20H19NO8S MolecularWeight: 433.43176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NOC(=C2)C3=CC(=CC=C3)OS(=O)(=O)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NOC(=C2)C3=CC(=CC=C3)OS(=O)(=O)C)OCC(=O)O

InChI

InChI=1S/C20H19NO8S/c1-13-8-16(6-7-18(13)27-12-20(22)23)26-11-15-10-19(28-21-15)14-4-3-5-17(9-14)29-30(2,24)25/h3-10H,11-12H2,1-2H3,(H,22,23)