7-[4-[[4-[[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[[4-[[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[[4-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[4-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]methyl]phenyl]methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[[4-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[4-[[4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)piperazino]methyl]benzyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C40H42F2N6O6 MolecularWeight: 740.794886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)CC)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)CC)F)F)C(=O)O

InChI

InChI=1S/C40H42F2N6O6/c1-3-45-23-29(39(51)52)37(49)27-17-31(41)35(19-33(27)45)47-13-9-43(10-14-47)21-25-5-7-26(8-6-25)22-44-11-15-48(16-12-44)36-20-34-28(18-32(36)42)38(50)30(40(53)54)24-46(34)4-2/h5-8,17-20,23-24H,3-4,9-16,21-22H2,1-2H3,(H,51,52)(H,53,54)