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

Systemtic Name: 8-bromanyl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 8-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 8-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 8-bromo-2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 8-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=CC2=C(C(=C(N=C2C(=C1)Br)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC2=C(C(=C(N=C2C(=C1)Br)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

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