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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-9-(phenylcarbonyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Openeye Name: 9-benzoyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid CAS Name: 9-benzoyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 9-benzoyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Traditional Name: 9-benzoyl-2-(4-chlorobenzyl)-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C27H21ClN2O4/c28-19-9-6-16(7-10-19)14-22-25(31)23(27(33)34)20-11-8-17-12-13-30(15-21(17)24(20)29-22)26(32)18-4-2-1-3-5-18/h1-11,31H,12-15H2,(H,33,34)