6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 6-[(tert-butylamino)-oxomethyl]-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 6-(tert-butylcarbamoyl)-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.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

CCN(CC)CC.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.C6H15N/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;1-4-7(5-2)6-3/h4-10,25H,1-3H3,(H,24,26)(H,27,28);4-6H2,1-3H3