6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-7-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-7-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-4-keto-7-methoxy-quinoline-3-carboxylic acid Formula: C26H27ClFNO5 MolecularWeight: 487.947683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCCCC3)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCCCC3)CC4=C(C(=CC=C4)Cl)F

InChI

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