6-(2,4-dichlorophenyl)carbonyl-1-(4-oxidanylbutyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-(2,4-dichlorophenyl)carbonyl-1-(4-oxidanylbutyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-(2,4-dichlorobenzoyl)-1-(4-hydroxybutyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2,4-dichlorophenyl)-oxomethyl]-1-(4-hydroxybutyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(2,4-dichlorobenzoyl)-1-(4-hydroxybutyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2,4-dichlorobenzoyl)-1-(4-hydroxybutyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H17Cl2NO5 MolecularWeight: 434.26938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCCO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCCO)C(=O)O

InChI

InChI=1S/C21H17Cl2NO5/c22-13-4-5-14(17(23)10-13)19(26)12-3-6-18-15(9-12)20(27)16(21(28)29)11-24(18)7-1-2-8-25/h3-6,9-11,25H,1-2,7-8H2,(H,28,29)