2-ethoxy-2-[[4-(2-quinolin-3-ylethoxy)phenyl]methyl]hexanoic acid

Systemtic Name: 2-ethoxy-2-[[4-(2-quinolin-3-ylethoxy)phenyl]methyl]hexanoic acid Openeye Name: 2-ethoxy-2-[[4-[2-(3-quinolyl)ethoxy]phenyl]methyl]hexanoic acid CAS Name: 2-ethoxy-2-[[4-[2-(3-quinolinyl)ethoxy]phenyl]methyl]hexanoic acid IUPAC Name: 2-ethoxy-2-[[4-(2-quinolin-3-ylethoxy)phenyl]methyl]hexanoic acid Traditional Name: 2-ethoxy-2-[4-[2-(3-quinolyl)ethoxy]benzyl]hexanoic acid Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCC2=CC3=CC=CC=C3N=C2)(C(=O)O)OCC

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCC2=CC3=CC=CC=C3N=C2)(C(=O)O)OCC

InChI

InChI=1S/C26H31NO4/c1-3-5-15-26(25(28)29,31-4-2)18-20-10-12-23(13-11-20)30-16-14-21-17-22-8-6-7-9-24(22)27-19-21/h6-13,17,19H,3-5,14-16,18H2,1-2H3,(H,28,29)