2-(4-tert-butylphenyl)-6-fluoranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-fluoranyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-fluoro-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-fluoro-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-fluoroquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-fluoro-cinchoninic acid Formula: C20H18FNO2 MolecularWeight: 323.360823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)O

InChI

InChI=1S/C20H18FNO2/c1-20(2,3)13-6-4-12(5-7-13)18-11-16(19(23)24)15-10-14(21)8-9-17(15)22-18/h4-11H,1-3H3,(H,23,24)