4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-pyridin-4-yl-phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid

Systemtic Name: 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-pyridin-4-yl-phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid Openeye Name: 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-(4-pyridyl)phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid CAS Name: 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylphenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid IUPAC Name: 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylphenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid Traditional Name: 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-(4-pyridyl)phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butyric acid Formula: C37H39NO8 MolecularWeight: 625.70746

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC(=C3)OCCCCCCC4=C(C(=CC=C4)OCCCC(=O)O)CCC(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC(=C3)OCCCCCCC4=C(C(=CC=C4)OCCCC(=O)O)CCC(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C37H39NO8/c39-36(40)10-6-20-44-33-9-5-8-27(32(33)12-14-37(41)42)7-3-1-2-4-19-43-31-22-29(26-15-17-38-18-16-26)21-30(23-31)28-11-13-34-35(24-28)46-25-45-34/h5,8-9,11,13,15-18,21-24H,1-4,6-7,10,12,14,19-20,25H2,(H,39,40)(H,41,42)