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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-7-pyrrolidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-pyrrolidin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-(1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-7-pyrrolidino-quinoline-3-carboxylic acid Formula: C23H22ClFN2O4 MolecularWeight: 444.883183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCO)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCO)CC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C23H22ClFN2O4/c24-18-5-3-4-14(21(18)25)10-15-11-16-20(12-19(15)26-6-1-2-7-26)27(8-9-28)13-17(22(16)29)23(30)31/h3-5,11-13,28H,1-2,6-10H2,(H,30,31)