{(3R,4S)-1-(Ethylcarbamoyl)-3-[(7-methyl-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-(Ethylcarbamoyl)-3-[(7-methyl-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid

ID: Reference8821

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methyl-1-isoquinolinyl)methyl]-1-[(ethylamino)carbonyl]-, (3R,4S)-;
NAT14-502434

Formula: C21H29N3O3

Spectral Data

{(3R,4S)-1-(Ethylcarbamoyl)-3-[(7-methyl-3,4-dihydro-1-isoquinolinyl)methyl]-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 2
No. of Spectra 3579
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:50:27 AM
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Identificators

InChI InChI=1S/C21H29N3O3/c1-3-22-21(27)24-9-7-16(12-20(25)26)17(13-24)11-19-18-10-14(2)4-5-15(18)6-8-23-19/h4-5,10,16-17H,3,6-9,11-13H2,1-2H3,(H,22,27)(H,25,26)/t16-,17-/m0/s1
InChI Key DCTOJASHMXVTNB-IRXDYDNUSA-N
Canonical SMILES CCNC(=O)N1CCC(C(C1)CC2=NCCC3=C2C=C(C=C3)C)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methyl-1-isoquinolinyl)methyl]-1-[(ethylamino)carbonyl]-, (3R,4S)-;
NAT14-502434

In Other Databases

PubChem 51136739
ChemSpider 29857442