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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-ethoxy-1-(1-oxidanylbutan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-ethoxy-1-[1-(hydroxymethyl)propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxybutan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxybutan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-ethoxy-4-keto-1-(1-methylolpropyl)quinoline-3-carboxylic acid Formula: C23H23ClFNO5 MolecularWeight: 447.883823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C=C(C(=O)C2=CC(=C(C=C21)OCC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CCC(CO)N1C=C(C(=O)C2=CC(=C(C=C21)OCC)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C23H23ClFNO5/c1-3-15(12-27)26-11-17(23(29)30)22(28)16-9-14(20(31-4-2)10-19(16)26)8-13-6-5-7-18(24)21(13)25/h5-7,9-11,15,27H,3-4,8,12H2,1-2H3,(H,29,30)