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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2C(=C1CC3=CC=C(C=C3)S(=O)(=O)C)C)OCC(=O)O)F

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2C(=C1CC3=CC=C(C=C3)S(=O)(=O)C)C)OCC(=O)O)F

InChI

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