2-[(4-chlorophenyl)methyl]-9-ethyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-[(4-chlorophenyl)methyl]-9-ethyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-9-ethyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-9-ethyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-9-ethyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-9-ethyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; triethylamine Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl.CCN(CC)CC

Isomeric SMILES

CCN1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl.CCN(CC)CC

InChI

InChI=1S/C22H21ClN2O3.C6H15N/c1-2-25-10-9-14-5-8-16-19(22(27)28)21(26)18(24-20(16)17(14)12-25)11-13-3-6-15(23)7-4-13;1-4-7(5-2)6-3/h3-8,26H,2,9-12H2,1H3,(H,27,28);4-6H2,1-3H3