{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate

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Systematic / IUPAC Name: [(2R,4S,5R)-5-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(4-acetylphenyl)carbamate

ID: Reference8985

Other Names: Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339052

Formula: C29H34N4O5

Spectral Data

{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 864
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 12:06:14 PM
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Identificators

InChI InChI=1S/C29H34N4O5/c1-18(34)19-5-8-22(9-6-19)30-29(35)38-17-23-13-20-11-12-33(23)16-24(20)26-15-25(31-32(26)2)21-7-10-27(36-3)28(14-21)37-4/h5-10,14-15,20,23-24H,11-13,16-17H2,1-4H3,(H,30,35)/t20-,23+,24-/m0/s1
InChI Key YDJVUIZYVVFMTQ-ZTCOLXNVSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OCC2CC3CCN2CC3C4=CC(=NN4C)C5=CC(=C(C=C5)OC)OC
CAS
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Other Names Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339052

In Other Databases

PubChem 44716366
ChemSpider 21381243