6-bromanyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 6-bromanyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 6-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 6-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 6-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 6-bromo-2-(4-chlorobenzyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C23H26BrClN2O3 MolecularWeight: 493.82114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=CC=C1CC2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)O)Cl

Isomeric SMILES

CCN(CC)CC.C1=CC(=CC=C1CC2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)O)Cl

InChI

InChI=1S/C17H11BrClNO3.C6H15N/c18-10-3-6-13-12(8-10)15(17(22)23)16(21)14(20-13)7-9-1-4-11(19)5-2-9;1-4-7(5-2)6-3/h1-6,8,21H,7H2,(H,22,23);4-6H2,1-3H3