6-tert-butyl-2-(5-fluoranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(5-fluoranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-fluoro-2-methoxy-phenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-fluoro-2-methoxy-phenyl)cinchoninic acid Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H20FNO3/c1-21(2,3)12-5-7-17-14(9-12)15(20(24)25)11-18(23-17)16-10-13(22)6-8-19(16)26-4/h5-11H,1-4H3,(H,24,25)