8-cyano-1-cyclopropyl-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-2-(1-ethylpentyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-fluoro-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-fluoro-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-2-(1-ethylpentyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2)F)C#N)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2)F)C#N)C(=O)O

InChI

InChI=1S/C21H23FN2O3/c1-3-5-6-12(4-2)19-17(21(26)27)20(25)16-10-14(22)9-13(11-23)18(16)24(19)15-7-8-15/h9-10,12,15H,3-8H2,1-2H3,(H,26,27)