[(3R,4S)-3-[(7-Methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(propylcarbamoyl)-4-piperidinyl]acetic acid

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

ID: Reference8809

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methoxy-1-isoquinolinyl)methyl]-1-[(propylamino)carbonyl]-, (3R,4S)-;
NAT14-502189

Formula: C22H31N3O4

Spectral Data

[(3R,4S)-3-[(7-Methoxy-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 2242
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 7/30/2019 6:20:33 AM
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Identificators

InChI InChI=1S/C22H31N3O4/c1-3-8-24-22(28)25-10-7-16(12-21(26)27)17(14-25)11-20-19-13-18(29-2)5-4-15(19)6-9-23-20/h4-5,13,16-17H,3,6-12,14H2,1-2H3,(H,24,28)(H,26,27)/t16-,17-/m0/s1
InChI Key NVIHPVKGHDVPGT-IRXDYDNUSA-N
Canonical SMILES CCCNC(=O)N1CCC(C(C1)CC2=NCCC3=C2C=C(C=C3)OC)CC(=O)O
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-7-methoxy-1-isoquinolinyl)methyl]-1-[(propylamino)carbonyl]-, (3R,4S)-;
NAT14-502189

In Other Databases

PubChem 51136684
ChemSpider 29857402