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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-4-oxidanylidene-7-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-4-oxo-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-7-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=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCCCC3)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

CC(C)OC1=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/C28H31ClFNO5/c1-16(2)36-25-13-23-20(12-19(25)11-18-9-6-10-22(29)26(18)30)27(33)21(28(34)35)14-31(23)24(15-32)17-7-4-3-5-8-17/h6,9-10,12-14,16-17,24,32H,3-5,7-8,11,15H2,1-2H3,(H,34,35)