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

Systemtic Name: 8-tert-butyl-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 8-tert-butyl-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 8-tert-butyl-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 8-tert-butyl-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 8-tert-butyl-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C20H18ClNO3.C6H15N/c1-20(2,3)14-6-4-5-13-15(19(24)25)18(23)16(22-17(13)14)11-7-9-12(21)10-8-11;1-4-7(5-2)6-3/h4-10,23H,1-3H3,(H,24,25);4-6H2,1-3H3