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

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

ID: Reference11824

Other Names: NAT14-336584

Formula: C29H37F3N4O3

Spectral Data

[(3R,4S)-1-[4-(Dimethylamino)benzoyl]-3-(2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-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 1079
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/7/2022 8:28:08 PM
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Identificators

InChI InChI=1S/C29H37F3N4O3/c1-33(2)25-8-6-21(7-9-25)28(39)36-13-11-22(18-27(37)38)23(20-36)10-12-34-14-16-35(17-15-34)26-5-3-4-24(19-26)29(30,31)32/h3-9,19,22-23H,10-18,20H2,1-2H3,(H,37,38)/t22-,23-/m0/s1
InChI Key XCZTVYXOQZKSMA-GOTSBHOMSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)CC(=O)O
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Other Names NAT14-336584

In Other Databases

PubChem 45360511
ChemSpider 21384509