7-[4-(2-carboxyethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-carboxyethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-carboxyethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-carboxyethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-carboxyethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-carboxyethyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H22FN3O5 MolecularWeight: 391.393483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC(=O)O)F)C(=O)O

InChI

InChI=1S/C19H22FN3O5/c1-2-22-11-13(19(27)28)18(26)12-9-14(20)16(10-15(12)22)23-7-5-21(6-8-23)4-3-17(24)25/h9-11H,2-8H2,1H3,(H,24,25)(H,27,28)