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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-8-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-8-isopropoxy-4-keto-quinoline-3-carboxylic acid Formula: C22H21ClFNO5 MolecularWeight: 433.857243

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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(=CN2CCO)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2CCO)C(=O)O

InChI

InChI=1S/C22H21ClFNO5/c1-12(2)30-18-10-13(8-14-4-3-5-17(23)19(14)24)9-15-20(18)25(6-7-26)11-16(21(15)27)22(28)29/h3-5,9-12,26H,6-8H2,1-2H3,(H,28,29)