2-[4-ethyl-8-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-yl]oxyethanoic acid

Systemtic Name: 2-[4-ethyl-8-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-yl]oxyethanoic acid Openeye Name: 2-[[4-ethyl-8-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]-5-quinolyl]oxy]acetic acid CAS Name: 2-[[4-ethyl-8-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]-5-quinolinyl]oxy]acetic acid IUPAC Name: 2-[4-ethyl-8-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-yl]oxyacetic acid Traditional Name: 2-[[4-ethyl-8-fluoro-3-(4-mesylbenzyl)-2-methyl-5-quinolyl]oxy]acetic acid Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C(C=CC(=C12)OCC(=O)O)F)C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC2=C(C=CC(=C12)OCC(=O)O)F)C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22FNO5S/c1-4-16-17(11-14-5-7-15(8-6-14)30(3,27)28)13(2)24-22-18(23)9-10-19(21(16)22)29-12-20(25)26/h5-10H,4,11-12H2,1-3H3,(H,25,26)