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N-Benzyl-2-[3-cyano-4-(3,4-dimethoxy-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-pyridin-2-yloxy]-acetamide
SpectraBase Compound ID 7P3RegMRa7i
InChI InChI=1S/C33H31N3O4/c1-38-30-15-14-25(17-31(30)39-2)27-18-29(26-13-12-23-10-6-7-11-24(23)16-26)36-33(28(27)19-34)40-21-32(37)35-20-22-8-4-3-5-9-22/h3-5,8-9,12-18H,6-7,10-11,20-21H2,1-2H3,(H,35,37)
InChIKey PCCFJNCFIHXJKE-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C33H31N3O4
Exact Mass 533.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZkMOe3cKmE
Name N-Benzyl-2-[3-cyano-4-(3,4-dimethoxy-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-pyridin-2-yloxy]-acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C33H31N3O4
InChI InChI=1S/C33H31N3O4/c1-38-30-15-14-25(17-31(30)39-2)27-18-29(26-13-12-23-10-6-7-11-24(23)16-26)36-33(28(27)19-34)40-21-32(37)35-20-22-8-4-3-5-9-22/h3-5,8-9,12-18H,6-7,10-11,20-21H2,1-2H3,(H,35,37)
InChIKey PCCFJNCFIHXJKE-UHFFFAOYSA-N
Molecular Weight 533.628 g/mol
SMILES N(C(COc1c(c(cc(-c2cc3CCCCc3cc2)n1)-c1cc(OC)c(cc1)OC)C#N)=O)Cc1ccccc1
SPLASH splash10-000i-0009000000-95f1bfcb244520c9482f
Source of Spectrum F2-44-4555-9a
Synonyms 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]-N-(phenylmethyl)acetamide N-benzyl-2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-yl]oxyacetamide 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-yl]oxy-N-(phenylmethyl)ethanamide
Wiley ID 1705793