8-chloranyl-1-cyclopropyl-6-fluoranyl-3-octan-3-yl-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-3-octan-3-yl-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-3-(1-ethylhexyl)-6-fluoro-4-oxo-quinoline-2-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-3-octan-3-yl-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-3-octan-3-yl-4-oxoquinoline-2-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-3-(1-ethylhexyl)-6-fluoro-4-keto-quinaldic acid Formula: C21H25ClFNO3 MolecularWeight: 393.879503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(N(C2=C(C=C(C=C2C1=O)F)Cl)C3CC3)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(N(C2=C(C=C(C=C2C1=O)F)Cl)C3CC3)C(=O)O

InChI

InChI=1S/C21H25ClFNO3/c1-3-5-6-7-12(4-2)17-19(21(26)27)24(14-8-9-14)18-15(20(17)25)10-13(23)11-16(18)22/h10-12,14H,3-9H2,1-2H3,(H,26,27)