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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-9-(phenylmethyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Openeye Name: 9-benzyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-(phenylmethyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 9-benzyl-2-[(4-chlorophenyl)methyl]-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Traditional Name: 9-benzyl-2-(4-chlorobenzyl)-3-hydroxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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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)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)CC5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O3/c28-20-9-6-17(7-10-20)14-23-26(31)24(27(32)33)21-11-8-19-12-13-30(16-22(19)25(21)29-23)15-18-4-2-1-3-5-18/h1-11,31H,12-16H2,(H,32,33)