6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexanoic acid

Systemtic Name: 6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexanoic acid Openeye Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexanoic acid CAS Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanoic acid IUPAC Name: 6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2,2-dimethylhexanoic acid Traditional Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexanoic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H27NO5/c1-26(2,25(28)29)12-6-7-13-30-24-16-20(14-21(27-24)18-8-4-3-5-9-18)19-10-11-22-23(15-19)32-17-31-22/h3-5,8-11,14-16H,6-7,12-13,17H2,1-2H3,(H,28,29)