1-butyl-6,8-bis(fluoranyl)-7-(4-methoxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-butyl-6,8-bis(fluoranyl)-7-(4-methoxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-butyl-6,8-difluoro-7-(4-methoxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-butyl-6,8-difluoro-7-(4-methoxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-butyl-6,8-difluoro-7-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-butyl-6,8-difluoro-4-keto-7-(4-methoxyphenyl)quinoline-3-carboxylic acid Formula: C21H19F2NO4 MolecularWeight: 387.376666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC=C(C=C3)OC)F)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC=C(C=C3)OC)F)C(=O)O

InChI

InChI=1S/C21H19F2NO4/c1-3-4-9-24-11-15(21(26)27)20(25)14-10-16(22)17(18(23)19(14)24)12-5-7-13(28-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,26,27)