(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethoxy)acetic acid

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Systematic / IUPAC Name: 2-[2-[[(1S,4S)-4-[3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethoxy]acetic acid

ID: Reference9247

Other Names: Acetic acid, 2-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethoxy]-;
NAT16-368439

Formula: C21H22F3N3O4

Spectral Data

(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethoxy)acetic acid 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 2909
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 1:35:12 PM
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Identificators

InChI InChI=1S/C21H22F3N3O4/c1-12-20(14-3-6-16(9-14)25-18(28)10-31-11-19(29)30)13(2)27(26-12)17-7-4-15(5-8-17)21(22,23)24/h3-8,14,16H,9-11H2,1-2H3,(H,25,28)(H,29,30)/t14-,16-/m1/s1
InChI Key ZNRIDQHLJOWEQU-GDBMZVCRSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)COCC(=O)O
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Other Names Acetic acid, 2-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethoxy]-;
NAT16-368439

In Other Databases

ChemSpider 21385805
PubChem 26743426