7-[4-[(7-chloranyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(7-chloranyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(7-chloro-4-oxo-chroman-3-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(7-chloro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(7-chloro-4-oxo-2,3-dihydrochromen-3-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(7-chloro-4-keto-chroman-3-yl)methyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C28H27ClFN3O6 MolecularWeight: 555.981883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)CC4COC5=C(C4=O)C=CC(=C5)Cl)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)CC4COC5=C(C4=O)C=CC(=C5)Cl)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C28H27ClFN3O6/c1-38-27-23-19(26(35)20(28(36)37)13-33(23)17-3-4-17)11-21(30)24(27)32-8-6-31(7-9-32)12-15-14-39-22-10-16(29)2-5-18(22)25(15)34/h2,5,10-11,13,15,17H,3-4,6-9,12,14H2,1H3,(H,36,37)