6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-methoxy-4-oxidanylidene-1-[(2R)-1-oxidanylpentan-2-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-methoxy-4-oxidanylidene-1-[(2R)-1-oxidanylpentan-2-yl]quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1R)-1-(hydroxymethyl)butyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypentan-2-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypentan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-8-methoxy-1-[(1R)-1-methylolbutyl]quinoline-3-carboxylic acid Formula: C23H23ClFNO5 MolecularWeight: 447.883823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)N1C=C(C(=O)C2=CC(=CC(=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CCC[C@H](CO)N1C=C(C(=O)C2=CC(=CC(=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C23H23ClFNO5/c1-3-5-15(12-27)26-11-17(23(29)30)22(28)16-9-13(10-19(31-2)21(16)26)8-14-6-4-7-18(24)20(14)25/h4,6-7,9-11,15,27H,3,5,8,12H2,1-2H3,(H,29,30)/t15-/m1/s1