8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-(3,4,5-trimethoxyphenyl)piperazino]quinoline-3-carboxylic acid Formula: C26H27ClFN3O6 MolecularWeight: 531.960483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CN(CCN2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CN(CCN2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H27ClFN3O6/c1-35-19-8-13(9-20(36-2)25(19)37-3)18-12-30(7-6-29-18)23-17(28)10-15-22(21(23)27)31(14-4-5-14)11-16(24(15)32)26(33)34/h8-11,14,18,29H,4-7,12H2,1-3H3,(H,33,34)