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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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