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

Systemtic Name: 6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C29H29ClN2O5 MolecularWeight: 521.00396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=CC=C1C2=CC3=C(C(=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O)C(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC(=CC=C1C2=CC3=C(C(=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O)C(=O)O)C(=O)O

InChI

InChI=1S/C23H14ClNO5.C6H15N/c24-16-8-5-13(6-9-16)20-21(26)19(23(29)30)17-11-15(7-10-18(17)25-20)12-1-3-14(4-2-12)22(27)28;1-4-7(5-2)6-3/h1-11,26H,(H,27,28)(H,29,30);4-6H2,1-3H3