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

Systemtic Name: 2-[4-[1-(2-carboxycyclopropyl)-2-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperazin-1-yl]butanedioic acid Openeye Name: 2-[4-[1-(2-carboxycyclopropyl)-2-ethyl-6-fluoro-4-oxo-7-quinolyl]piperazin-1-yl]butanedioic acid CAS Name: 2-[4-[1-(2-carboxycyclopropyl)-2-ethyl-6-fluoro-4-oxo-7-quinolinyl]-1-piperazinyl]butanedioic acid IUPAC Name: 2-[4-[1-(2-carboxycyclopropyl)-2-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperazin-1-yl]butanedioic acid Traditional Name: 2-[4-[1-(2-carboxycyclopropyl)-2-ethyl-6-fluoro-4-keto-7-quinolyl]piperazino]succinic acid Formula: C23H26FN3O7 MolecularWeight: 475.466843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)C2=CC(=C(C=C2N1C3CC3C(=O)O)N4CCN(CC4)C(CC(=O)O)C(=O)O)F

Isomeric SMILES

CCC1=CC(=O)C2=CC(=C(C=C2N1C3CC3C(=O)O)N4CCN(CC4)C(CC(=O)O)C(=O)O)F

InChI

InChI=1S/C23H26FN3O7/c1-2-12-7-20(28)13-8-15(24)18(10-17(13)27(12)16-9-14(16)22(31)32)25-3-5-26(6-4-25)19(23(33)34)11-21(29)30/h7-8,10,14,16,19H,2-6,9,11H2,1H3,(H,29,30)(H,31,32)(H,33,34)