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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-7,8,9,10-tetrahydro-1,9-phenanthroline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydro-1,9-phenanthroline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydro-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydro-1,9-phenanthroline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydro-1,9-phenanthroline-4-carboxylic acid Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1CNCC2=C1C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C20H17ClN2O3/c21-13-4-1-11(2-5-13)9-16-19(24)17(20(25)26)14-6-3-12-7-8-22-10-15(12)18(14)23-16/h1-6,22,24H,7-10H2,(H,25,26)