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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-9-ethanoyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 9-acetyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 9-acetyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine IUPAC Name: 9-acetyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 9-acetyl-2-(4-chlorobenzyl)-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; triethylamine Formula: C28H34ClN3O4 MolecularWeight: 512.04026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)CC.CC(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN2O4.C6H15N/c1-12(26)25-9-8-14-4-7-16-19(22(28)29)21(27)18(24-20(16)17(14)11-25)10-13-2-5-15(23)6-3-13;1-4-7(5-2)6-3/h2-7,27H,8-11H2,1H3,(H,28,29);4-6H2,1-3H3