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

Systemtic Name: 7-[4-(2-carboxyethylcarbamoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-carboxyethylcarbamoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2-carboxyethylamino)-oxomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-carboxyethylcarbamoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-carboxyethylcarbamoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN4O6 MolecularWeight: 446.428923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NCCC(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NCCC(=O)O)F)C(=O)O

InChI

InChI=1S/C21H23FN4O6/c22-15-9-13-16(26(12-1-2-12)11-14(19(13)29)20(30)31)10-17(15)24-5-7-25(8-6-24)21(32)23-4-3-18(27)28/h9-12H,1-8H2,(H,23,32)(H,27,28)(H,30,31)