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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-7-methoxy-quinoline-3-carboxylic acid Formula: C20H17ClFNO5 MolecularWeight: 405.804083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H17ClFNO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)