6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-(1-oxidanylpropan-2-yl)-7-propan-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-(1-oxidanylpropan-2-yl)-7-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxy-1-methyl-ethyl)-7-isopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxypropan-2-yl)-4-oxo-7-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxypropan-2-yl)-4-oxo-7-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxy-1-methyl-ethyl)-7-isopropyl-4-keto-quinoline-3-carboxylic acid Formula: C23H23ClFNO4 MolecularWeight: 431.884423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)CO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)CO)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C23H23ClFNO4/c1-12(2)16-9-20-17(8-15(16)7-14-5-4-6-19(24)21(14)25)22(28)18(23(29)30)10-26(20)13(3)11-27/h4-6,8-10,12-13,27H,7,11H2,1-3H3,(H,29,30)