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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-oxidanyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 9-carbethoxy-2-(4-chlorobenzyl)-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; triethylamine Formula: C29H36ClN3O5 MolecularWeight: 542.06624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21ClN2O5.C6H15N/c1-2-31-23(30)26-10-9-14-5-8-16-19(22(28)29)21(27)18(25-20(16)17(14)12-26)11-13-3-6-15(24)7-4-13;1-4-7(5-2)6-3/h3-8,27H,2,9-12H2,1H3,(H,28,29);4-6H2,1-3H3