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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)OCC4=CC=CC=C4CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)OCC4=CC=CC=C4CC(C(=O)O)C(=O)O

InChI

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