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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-8-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-8-isopropoxy-4-keto-quinoline-3-carboxylic acid Formula: C28H31ClFNO5 MolecularWeight: 516.000843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

InChI

InChI=1S/C28H31ClFNO5/c1-16(2)36-24-13-17(11-19-9-6-10-22(29)25(19)30)12-20-26(24)31(14-21(27(20)33)28(34)35)23(15-32)18-7-4-3-5-8-18/h6,9-10,12-14,16,18,23,32H,3-5,7-8,11,15H2,1-2H3,(H,34,35)