1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; 2-oxidanylpropanoic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; 2-oxidanylpropanoic acid Openeye Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; 2-hydroxypropanoic acid CAS Name: 1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 2-hydroxypropanoic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; 2-hydroxypropanoic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid; lactic acid Formula: C20H25F2N3O6 MolecularWeight: 441.425806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.CC(C(=O)O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.CC(C(=O)O)O

InChI

InChI=1S/C17H19F2N3O3.C3H6O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;1-2(4)3(5)6/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);2,4H,1H3,(H,5,6)