2-[4-[1-ethyl-6-fluoranyl-4-oxidanylidene-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)quinolin-7-yl]piperazin-1-yl]butanedioic acid

Systemtic Name: 2-[4-[1-ethyl-6-fluoranyl-4-oxidanylidene-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)quinolin-7-yl]piperazin-1-yl]butanedioic acid Openeye Name: 2-[4-[1-ethyl-6-fluoro-2-(2-hydroxy-1-methyl-2-oxo-ethyl)-4-oxo-7-quinolyl]piperazin-1-yl]butanedioic acid CAS Name: 2-[4-[1-ethyl-6-fluoro-2-(1-hydroxy-1-oxopropan-2-yl)-4-oxo-7-quinolinyl]-1-piperazinyl]butanedioic acid IUPAC Name: 2-[4-[1-ethyl-6-fluoro-2-(1-hydroxy-1-oxopropan-2-yl)-4-oxoquinolin-7-yl]piperazin-1-yl]butanedioic acid Traditional Name: 2-[4-[1-ethyl-6-fluoro-2-(2-hydroxy-2-keto-1-methyl-ethyl)-4-keto-7-quinolyl]piperazino]succinic acid Formula: C22H26FN3O7 MolecularWeight: 463.456143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C=C1C(C)C(=O)O)F)N3CCN(CC3)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C=C1C(C)C(=O)O)F)N3CCN(CC3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H26FN3O7/c1-3-26-15(12(2)21(30)31)10-19(27)13-8-14(23)17(9-16(13)26)24-4-6-25(7-5-24)18(22(32)33)11-20(28)29/h8-10,12,18H,3-7,11H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)