8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C29H29ClN2O5 MolecularWeight: 521.00396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

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