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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C2C(=C1)C(=C(C(=N2)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C2C(=C1)C(=C(C(=N2)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C17H12ClNO3.C6H15N/c18-11-7-5-10(6-8-11)9-14-16(20)15(17(21)22)12-3-1-2-4-13(12)19-14;1-4-7(5-2)6-3/h1-8,20H,9H2,(H,21,22);4-6H2,1-3H3