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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1R)-1-(hydroxymethyl)propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxybutan-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxybutan-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-1-[(1R)-1-methylolpropyl]quinoline-3-carboxylic acid Formula: C21H19ClFNO4 MolecularWeight: 403.831263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC[C@H](CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C21H19ClFNO4/c1-2-14(11-25)24-10-16(21(27)28)20(26)15-9-12(6-7-18(15)24)8-13-4-3-5-17(22)19(13)23/h3-7,9-10,14,25H,2,8,11H2,1H3,(H,27,28)/t14-/m1/s1