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

Systemtic Name: 6-[(2,4-dichlorophenyl)methyl]-4-oxidanylidene-1-(3-oxidanylpropyl)quinoline-3-carboxylic acid Openeye Name: 6-[(2,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2,4-dichlorobenzyl)-1-(3-hydroxypropyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H17Cl2NO4 MolecularWeight: 406.25928

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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(=CN2CCCO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CC3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCO)C(=O)O

InChI

InChI=1S/C20H17Cl2NO4/c21-14-4-3-13(17(22)10-14)8-12-2-5-18-15(9-12)19(25)16(20(26)27)11-23(18)6-1-7-24/h2-5,9-11,24H,1,6-8H2,(H,26,27)