{(3R,4S)-3-[2-(4-Phenyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-4-piperidinyl}acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-3-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetic acid

ID: Reference9515

Other Names: 4-Piperidineacetic acid, 3-[2-(4-phenyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-, (3R,4S)-;
NAT14-336305

Formula: C27H32F3N3O3

Spectral Data

{(3R,4S)-3-[2-(4-Phenyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-4-piperidinyl}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 1
No. of Spectra 2137
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2020 3:59:05 PM
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Identificators

InChI InChI=1S/C27H32F3N3O3/c28-27(29,30)23-8-6-20(7-9-23)26(36)33-13-11-21(18-25(34)35)22(19-33)10-12-31-14-16-32(17-15-31)24-4-2-1-3-5-24/h1-9,21-22H,10-19H2,(H,34,35)/t21-,22-/m0/s1
InChI Key MTSJKCIRTYIWOJ-VXKWHMMOSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F
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Other Names 4-Piperidineacetic acid, 3-[2-(4-phenyl-1-piperazinyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]-, (3R,4S)-;
NAT14-336305

In Other Databases

PubChem 25313127
ChemSpider 21384471