2-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]butanedioic acid

Systemtic Name: 2-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]butanedioic acid Openeye Name: 2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-yl]butanedioic acid CAS Name: 2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]butanedioic acid IUPAC Name: 2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]butanedioic acid Traditional Name: 2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazino]succinic acid Formula: C21H22FN3O7 MolecularWeight: 447.413683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O7/c22-14-7-12-15(25(11-1-2-11)10-13(19(12)28)20(29)30)8-16(14)23-3-5-24(6-4-23)17(21(31)32)9-18(26)27/h7-8,10-11,17H,1-6,9H2,(H,26,27)(H,29,30)(H,31,32)