1-dodecyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylpropylamino)quinoline-3-carboxylic acid

Systemtic Name: 1-dodecyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylpropylamino)quinoline-3-carboxylic acid Openeye Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-dodecyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-(3-hydroxypropylamino)-4-keto-1-lauryl-quinoline-3-carboxylic acid Formula: C25H37FN2O4 MolecularWeight: 448.570683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)NCCCO)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)NCCCO)F)C(=O)O

InChI

InChI=1S/C25H37FN2O4/c1-2-3-4-5-6-7-8-9-10-11-14-28-18-20(25(31)32)24(30)19-16-21(26)22(17-23(19)28)27-13-12-15-29/h16-18,27,29H,2-15H2,1H3,(H,31,32)