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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-8-ethyl-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-8-ethyl-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-8-ethyl-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-8-ethyl-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-8-ethyl-3-hydroxy-cinchoninic acid; triethylamine Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O.CCN(CC)CC

Isomeric SMILES

CCC1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O.CCN(CC)CC

InChI

InChI=1S/C19H16ClNO3.C6H15N/c1-2-12-4-3-5-14-16(19(23)24)18(22)15(21-17(12)14)10-11-6-8-13(20)9-7-11;1-4-7(5-2)6-3/h3-9,22H,2,10H2,1H3,(H,23,24);4-6H2,1-3H3