6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H27ClFNO5 MolecularWeight: 487.947683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

InChI

InChI=1S/C26H27ClFNO5/c1-34-22-12-15(10-17-8-5-9-20(27)23(17)28)11-18-24(22)29(13-19(25(18)31)26(32)33)21(14-30)16-6-3-2-4-7-16/h5,8-9,11-13,16,21,30H,2-4,6-7,10,14H2,1H3,(H,32,33)