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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2-methyl-hexanoic acid Openeye Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoic acid CAS Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid IUPAC Name: 6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2-methylhexanoic acid Traditional Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)