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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-9-(2-phenylethanoyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-(2-phenylacetyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-(1-oxo-2-phenylethyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-(2-phenylacetyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-9-(2-phenylacetyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H23ClN2O4/c29-20-9-6-18(7-10-20)14-23-27(33)25(28(34)35)21-11-8-19-12-13-31(16-22(19)26(21)30-23)24(32)15-17-4-2-1-3-5-17/h1-11,33H,12-16H2,(H,34,35)