[(3R,4S)-3-[(6-Fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(propylcarbamoyl)-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6-Fluoro-3,4-dihydroisoquinolin-1-yl)methyl]-1-(propylcarbamoyl)piperidin-4-yl]acetic acid

ID: Reference8814

Other Names: 4-Piperidineacetic acid, 3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(propylamino)carbonyl]-, (3R,4S)-;
NAT14-502766

Formula: C21H28FN3O3

Spectral Data

[(3R,4S)-3-[(6-Fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(propylcarbamoyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1309
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 7/31/2019 7:39:18 AM
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Identificators

InChI InChI=1S/C21H28FN3O3/c1-2-7-24-21(28)25-9-6-14(12-20(26)27)16(13-25)11-19-18-4-3-17(22)10-15(18)5-8-23-19/h3-4,10,14,16H,2,5-9,11-13H2,1H3,(H,24,28)(H,26,27)/t14-,16-/m0/s1
InChI Key MUOXYKNUDBRECV-HOCLYGCPSA-N
Canonical SMILES CCCNC(=O)N1CCC(C(C1)CC2=NCCC3=C2C=CC(=C3)F)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(propylamino)carbonyl]-, (3R,4S)-;
NAT14-502766

In Other Databases

PubChem 51136788
ChemSpider 29857480