2-(4-chlorophenyl)-3-oxidanyl-7-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-(4-chlorophenyl)-3-oxidanyl-7-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-7-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-7-phenyl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-7-phenylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-7-phenyl-cinchoninic acid; triethylamine Formula: C28H29ClN2O3 MolecularWeight: 476.99446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClNO3.C6H15N/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-11-8-15(12-18(17)24-20)13-4-2-1-3-5-13;1-4-7(5-2)6-3/h1-12,25H,(H,26,27);4-6H2,1-3H3