6-[(2,4-dichlorophenyl)methyl]-1-(4-oxidanylbutyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2,4-dichlorophenyl)methyl]-1-(4-oxidanylbutyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2,4-dichlorophenyl)methyl]-1-(4-hydroxybutyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2,4-dichlorophenyl)methyl]-1-(4-hydroxybutyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2,4-dichlorophenyl)methyl]-1-(4-hydroxybutyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2,4-dichlorobenzyl)-1-(4-hydroxybutyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19Cl2NO4 MolecularWeight: 420.28586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCCO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CC3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCCO)C(=O)O

InChI

InChI=1S/C21H19Cl2NO4/c22-15-5-4-14(18(23)11-15)9-13-3-6-19-16(10-13)20(26)17(21(27)28)12-24(19)7-1-2-8-25/h3-6,10-12,25H,1-2,7-9H2,(H,27,28)