6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 6-[(tert-butylamino)-oxomethyl]-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C21H19ClN2O4/c1-21(2,3)24-19(26)12-6-9-15-14(10-12)16(20(27)28)18(25)17(23-15)11-4-7-13(22)8-5-11/h4-10,25H,1-3H3,(H,24,26)(H,27,28)