3-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonyl-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonyl-3-oxidanyl-pentanedioic acid Openeye Name: 3-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbonyl]-3-hydroxy-pentanedioic acid CAS Name: 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-oxomethyl]-3-hydroxypentanedioic acid IUPAC Name: 3-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbonyl]-3-hydroxypentanedioic acid Traditional Name: 3-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbonyl]-3-hydroxy-glutaric acid Formula: C23H24FN3O9 MolecularWeight: 505.449763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O9/c24-15-7-13-16(27(12-1-2-12)11-14(20(13)32)21(33)34)8-17(15)25-3-5-26(6-4-25)22(35)23(36,9-18(28)29)10-19(30)31/h7-8,11-12,36H,1-6,9-10H2,(H,28,29)(H,30,31)(H,33,34)