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

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

ID: Reference8822

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methyl-1-isoquinolinyl)methyl]-1-[(2-propen-1-ylamino)carbonyl]-, (3R,4S)-;
NAT14-502435

Formula: C22H29N3O3

Spectral Data

{(3R,4S)-1-(Allylcarbamoyl)-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 1890
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:51:57 AM
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Identificators

InChI InChI=1S/C22H29N3O3/c1-3-8-24-22(28)25-10-7-17(13-21(26)27)18(14-25)12-20-19-11-15(2)4-5-16(19)6-9-23-20/h3-5,11,17-18H,1,6-10,12-14H2,2H3,(H,24,28)(H,26,27)/t17-,18-/m0/s1
InChI Key DKLSWYAOZNPMJW-ROUUACIJSA-N
Canonical SMILES CC1=CC2=C(CCN=C2CC3CN(CCC3CC(=O)O)C(=O)NCC=C)C=C1
CAS
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methyl-1-isoquinolinyl)methyl]-1-[(2-propen-1-ylamino)carbonyl]-, (3R,4S)-;
NAT14-502435

In Other Databases

ChemSpider 29857443
PubChem 51136740