4-[2-(2-carboxyethyl)-3-[6-(3-pyrimidin-5-yl-5-thiophen-3-yl-phenoxy)hexyl]phenoxy]butanoic acid

Systemtic Name: 4-[2-(2-carboxyethyl)-3-[6-(3-pyrimidin-5-yl-5-thiophen-3-yl-phenoxy)hexyl]phenoxy]butanoic acid Openeye Name: 4-[2-(2-carboxyethyl)-3-[6-[3-pyrimidin-5-yl-5-(3-thienyl)phenoxy]hexyl]phenoxy]butanoic acid CAS Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(5-pyrimidinyl)-5-(3-thiophenyl)phenoxy]hexyl]phenoxy]butanoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-3-[6-(3-pyrimidin-5-yl-5-thiophen-3-ylphenoxy)hexyl]phenoxy]butanoic acid Traditional Name: 4-[2-(2-carboxyethyl)-3-[6-[3-(5-pyrimidyl)-5-(3-thienyl)phenoxy]hexyl]phenoxy]butyric acid Formula: C33H36N2O6S MolecularWeight: 588.71374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCCCC(=O)O)CCC(=O)O)CCCCCCOC2=CC(=CC(=C2)C3=CN=CN=C3)C4=CSC=C4

Isomeric SMILES

C1=CC(=C(C(=C1)OCCCC(=O)O)CCC(=O)O)CCCCCCOC2=CC(=CC(=C2)C3=CN=CN=C3)C4=CSC=C4

InChI

InChI=1S/C33H36N2O6S/c36-32(37)10-6-15-41-31-9-5-8-24(30(31)11-12-33(38)39)7-3-1-2-4-14-40-29-18-26(25-13-16-42-22-25)17-27(19-29)28-20-34-23-35-21-28/h5,8-9,13,16-23H,1-4,6-7,10-12,14-15H2,(H,36,37)(H,38,39)