[(3R,4S)-3-(3,4-Dihydro-1-isoquinolinylmethyl)-1-(3-phenylpropanoyl)-4-piperidinyl]acetic acid

enlarge

Systematic / IUPAC Name: 2-[(3R,4S)-3-(3,4-Dihydroisoquinolin-1-ylmethyl)-1-(3-phenylpropanoyl)piperidin-4-yl]acetic acid

ID: Reference8831

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-1-isoquinolinyl)methyl]-1-(1-oxo-3-phenylpropyl)-, (3R,4S)-;
NAT14-502287

Formula: C26H30N2O3

Spectral Data

[(3R,4S)-3-(3,4-Dihydro-1-isoquinolinylmethyl)-1-(3-phenylpropanoyl)-4-piperidinyl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1933
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2019 9:11:53 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H30N2O3/c29-25(11-10-19-6-2-1-3-7-19)28-15-13-21(17-26(30)31)22(18-28)16-24-23-9-5-4-8-20(23)12-14-27-24/h1-9,21-22H,10-18H2,(H,30,31)/t21-,22-/m0/s1
InChI Key POCLJSQZOWSODS-VXKWHMMOSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CC2=NCCC3=CC=CC=C32)C(=O)CCC4=CC=CC=C4
CAS
Splash
Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-1-isoquinolinyl)methyl]-1-(1-oxo-3-phenylpropyl)-, (3R,4S)-;
NAT14-502287

In Other Databases

ChemSpider 29857412
PubChem 51136698