Ethyl {(1S,4S,5S)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate

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Systematic / IUPAC Name: Ethyl 2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridine-4-carbonylamino)methyl]cyclohex-2-en-1-yl]acetate

ID: Reference9240

Other Names: 2-Cyclohexene-1-acetic acid, 2-methyl-5-(1-methylethyl)-4-[[(4-pyridinylcarbonyl)amino]methyl]-, ethyl ester, (1S,4S,5S)-;
NAT28-409126

Formula: C21H30N2O3

Spectral Data

Ethyl {(1S,4S,5S)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate 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
No. of Spectral Trees 2
No. of Spectra 2009
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:19:55 AM
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Identificators

InChI InChI=1S/C21H30N2O3/c1-5-26-20(24)12-17-11-19(14(2)3)18(10-15(17)4)13-23-21(25)16-6-8-22-9-7-16/h6-10,14,17-19H,5,11-13H2,1-4H3,(H,23,25)/t17-,18-,19-/m0/s1
InChI Key BSTZJININODUKU-FHWLQOOXSA-N
Canonical SMILES CCOC(=O)CC1CC(C(C=C1C)CNC(=O)C2=CC=NC=C2)C(C)C
CAS
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Other Names 2-Cyclohexene-1-acetic acid, 2-methyl-5-(1-methylethyl)-4-[[(4-pyridinylcarbonyl)amino]methyl]-, ethyl ester, (1S,4S,5S)-;
NAT28-409126

In Other Databases

ChemSpider 22937344
PubChem 38029777