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

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

ID: Reference9476

Other Names: 4-Piperidineacetic acid, 1-(2-phenylacetyl)-3-[2-(4-phenyl-1-piperazinyl)ethyl]-, (3R,4S)-;
NAT14-336295

Formula: C27H35N3O3

Spectral Data

{(3R,4S)-1-(Phenylacetyl)-3-[2-(4-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 2
No. of Spectra 2382
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2020 8:48:32 AM
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Identificators

InChI InChI=1S/C27H35N3O3/c31-26(19-22-7-3-1-4-8-22)30-14-12-23(20-27(32)33)24(21-30)11-13-28-15-17-29(18-16-28)25-9-5-2-6-10-25/h1-10,23-24H,11-21H2,(H,32,33)/t23-,24-/m0/s1
InChI Key SPLLSTZZZRRJMG-ZEQRLZLVSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4
CAS
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Other Names 4-Piperidineacetic acid, 1-(2-phenylacetyl)-3-[2-(4-phenyl-1-piperazinyl)ethyl]-, (3R,4S)-;
NAT14-336295

In Other Databases

ChemSpider 21384463
PubChem 25313080