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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4,8-dicarboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4,8-dicarboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4,8-dicarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4,8-dicarboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-quinoline-4,8-dicarboxylic acid; triethylamine Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO5.C6H15N/c19-10-6-4-9(5-7-10)8-13-16(21)14(18(24)25)11-2-1-3-12(17(22)23)15(11)20-13;1-4-7(5-2)6-3/h1-7,21H,8H2,(H,22,23)(H,24,25);4-6H2,1-3H3