2-[1-[(4-tert-butylphenyl)methyl]-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-tert-butylphenyl)methyl]-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-6-fluoro-4-oxo-3-quinolyl]acetic acid CAS Name: 2-[1-[(4-tert-butylphenyl)methyl]-6-fluoro-4-oxo-3-quinolinyl]acetic acid IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-6-fluoro-4-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-6-fluoro-4-keto-3-quinolyl]acetic acid Formula: C22H22FNO3 MolecularWeight: 367.413383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)F)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)F)CC(=O)O

InChI

InChI=1S/C22H22FNO3/c1-22(2,3)16-6-4-14(5-7-16)12-24-13-15(10-20(25)26)21(27)18-11-17(23)8-9-19(18)24/h4-9,11,13H,10,12H2,1-3H3,(H,25,26)