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

Systemtic Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 8-tert-butyl-2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 8-tert-butyl-2-(4-chlorobenzyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C27H35ClN2O3 MolecularWeight: 471.0314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)(C)C1=CC=CC2=C(C(=C(N=C21)CC3=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)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C21H20ClNO3.C6H15N/c1-21(2,3)15-6-4-5-14-17(20(25)26)19(24)16(23-18(14)15)11-12-7-9-13(22)10-8-12;1-4-7(5-2)6-3/h4-10,24H,11H2,1-3H3,(H,25,26);4-6H2,1-3H3