2-(4-tert-butylphenyl)-6-fluoranyl-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-fluoranyl-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-fluoro-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-fluoro-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-fluoro-3-methyl-cinchoninic acid Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H20FNO2/c1-12-18(20(24)25)16-11-15(22)9-10-17(16)23-19(12)13-5-7-14(8-6-13)21(2,3)4/h5-11H,1-4H3,(H,24,25)