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6-((E)-2-(Methoxycarbonyl)-2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)vinyloxy)hexanoic acid
SpectraBase Compound ID 7it6TVBh254
InChI InChI=1S/C27H25N3O7/c1-34-27(33)21(17-35-14-8-2-3-13-26(31)32)20-10-5-7-12-23(20)37-25-15-24(29-18-30-25)36-22-11-6-4-9-19(22)16-28/h4-7,9-12,15,17-18H,2-3,8,13-14H2,1H3,(H,31,32)/b21-17+
InChIKey UCWHLOJACOVTIT-HEHNFIMWSA-N
Mol Weight 503.51 g/mol
Molecular Formula C27H25N3O7
Exact Mass 503.16925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gQgUhKrdLd
Name 6-((E)-2-(Methoxycarbonyl)-2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)vinyloxy)hexanoic acid
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Formula C27H25N3O7
InChI InChI=1S/C27H25N3O7/c1-34-27(33)21(17-35-14-8-2-3-13-26(31)32)20-10-5-7-12-23(20)37-25-15-24(29-18-30-25)36-22-11-6-4-9-19(22)16-28/h4-7,9-12,15,17-18H,2-3,8,13-14H2,1H3,(H,31,32)/b21-17+
InChIKey UCWHLOJACOVTIT-HEHNFIMWSA-N
Molecular Weight 503.511 g/mol
SMILES OC(CCCCCO\C=C/(c1c(Oc2ncnc(c2)Oc2c(C#N)cccc2)cccc1)C(=O)OC)=O
SPLASH splash10-002u-2209210000-f0791ed7c18bf9b9fd20
Source of Spectrum F-67-634-5
Synonyms 6-[(E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxy-3-oxoprop-1-enoxy]hexanoic acid 6-[(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-3-oxoprop-1-enoxy]hexanoic acid 6-[(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-3-oxo-prop-1-enoxy]hexanoic acid 6-[(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-3-oxidanylidene-prop-1-enoxy]hexanoic acid
Wiley ID 1685460