1-tert-butyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C22H30FNO3 MolecularWeight: 375.476903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=C(N1C(C)(C)C)C=CC(=C2)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=C(N1C(C)(C)C)C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C22H30FNO3/c1-6-7-8-9-10-14(2)19-18(21(26)27)20(25)16-13-15(23)11-12-17(16)24(19)22(3,4)5/h11-14H,6-10H2,1-5H3,(H,26,27)