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

Systemtic Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-4-yl-phenoxy]hexyl]phenoxy]butanoic acid Openeye Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridyl)phenoxy]hexyl]phenoxy]butanoic acid CAS Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-4-ylphenoxy]hexyl]phenoxy]butanoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-4-ylphenoxy]hexyl]phenoxy]butanoic acid Traditional Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridyl)phenoxy]hexyl]phenoxy]butyric acid Formula: C38H41NO8 MolecularWeight: 639.73404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)OCCCCCCC4=C(C(=CC=C4)OCCCC(=O)O)CCC(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)OCCCCCCC4=C(C(=CC=C4)OCCCC(=O)O)CCC(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C38H41NO8/c40-37(41)10-6-20-45-34-9-5-8-28(33(34)12-14-38(42)43)7-3-1-2-4-19-44-32-24-30(27-15-17-39-18-16-27)23-31(25-32)29-11-13-35-36(26-29)47-22-21-46-35/h5,8-9,11,13,15-18,23-26H,1-4,6-7,10,12,14,19-22H2,(H,40,41)(H,42,43)