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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-3-oxidanyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(cyclohexylmethyl)-2-hydroxy-ethyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-3-hydroxypropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-3-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-[1-(cyclohexylmethyl)-2-hydroxy-ethyl]-4-keto-quinoline-3-carboxylic acid Formula: C26H27ClFNO4 MolecularWeight: 471.948283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CO)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)F)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(CO)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)F)C(=O)O

InChI

InChI=1S/C26H27ClFNO4/c27-22-8-4-7-18(24(22)28)11-17-9-10-23-20(13-17)25(31)21(26(32)33)14-29(23)19(15-30)12-16-5-2-1-3-6-16/h4,7-10,13-14,16,19,30H,1-3,5-6,11-12,15H2,(H,32,33)