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

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

ID: Reference9577

Other Names: 4-Piperidineacetic acid, 1-benzoyl-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336470

Formula: C27H35N3O4

Spectral Data

[(3R,4S)-1-Benzoyl-3-{2-[4-(2-methoxyphenyl)-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 1353
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 6:35:43 AM
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Identificators

InChI InChI=1S/C27H35N3O4/c1-34-25-10-6-5-9-24(25)29-17-15-28(16-18-29)13-11-23-20-30(14-12-22(23)19-26(31)32)27(33)21-7-3-2-4-8-21/h2-10,22-23H,11-20H2,1H3,(H,31,32)/t22-,23-/m0/s1
InChI Key NOZSTWZCBJMMCA-GOTSBHOMSA-N
Canonical SMILES COC1=CC=CC=C1N2CCN(CC2)CCC3CN(CCC3CC(=O)O)C(=O)C4=CC=CC=C4
CAS
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Other Names 4-Piperidineacetic acid, 1-benzoyl-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336470

In Other Databases

PubChem 25313249
ChemSpider 21384489