2-(phenylmethyl)-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]propanedioic acid

Systemtic Name: 2-(phenylmethyl)-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]propanedioic acid Openeye Name: 2-benzyl-2-[[3-(2-quinolylmethoxy)phenoxy]methyl]propanedioic acid CAS Name: 2-(phenylmethyl)-2-[[3-(2-quinolinylmethoxy)phenoxy]methyl]propanedioic acid IUPAC Name: 2-benzyl-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]propanedioic acid Traditional Name: 2-benzyl-2-[[3-(2-quinolylmethoxy)phenoxy]methyl]malonic acid Formula: C27H23NO6 MolecularWeight: 457.47462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(COC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(COC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H23NO6/c29-25(30)27(26(31)32,16-19-7-2-1-3-8-19)18-34-23-11-6-10-22(15-23)33-17-21-14-13-20-9-4-5-12-24(20)28-21/h1-15H,16-18H2,(H,29,30)(H,31,32)