2-[[6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexanoyl]amino]-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoic acid

Systemtic Name: 2-[[6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexanoyl]amino]-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoic acid Openeye Name: 2-[[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexanoyl]amino]-2-[(2,2,2-trifluoroacetyl)amino]acetic acid CAS Name: 2-[[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethyl-1-oxohexyl]amino]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]acetic acid IUPAC Name: 2-[[6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2,2-dimethylhexanoyl]amino]-2-[(2,2,2-trifluoroacetyl)amino]acetic acid Traditional Name: 2-[[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexanoyl]amino]-2-[(2,2,2-trifluoroacetyl)amino]acetic acid Formula: C30H30F3N3O7 MolecularWeight: 601.57031

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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)NC(C(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C30H30F3N3O7/c1-29(2,27(39)35-25(26(37)38)36-28(40)30(31,32)33)12-6-7-13-41-24-16-20(14-21(34-24)18-8-4-3-5-9-18)19-10-11-22-23(15-19)43-17-42-22/h3-5,8-11,14-16,25H,6-7,12-13,17H2,1-2H3,(H,35,39)(H,36,40)(H,37,38)