{(3R,4S)-1-(4-Fluorobenzoyl)-3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12902
Reference
{(3R,4S)-1-(4-Fluorobenzoyl)-3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(4-Fluorobenzoyl)-3-[(6-fluoro-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid
ID: Reference12902
Other Names: NAT14-502734
Formula: C24H24F2N2O3
Spectral Data
{(3R,4S)-1-(4-Fluorobenzoyl)-3-[(6-fluoro-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1690 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/12/2023 1:16:43 PM |
Identificators
| InChI | InChI=1S/C24H24F2N2O3/c25-19-3-1-15(2-4-19)24(31)28-10-8-16(13-23(29)30)18(14-28)12-22-21-6-5-20(26)11-17(21)7-9-27-22/h1-6,11,16,18H,7-10,12-14H2,(H,29,30)/t16-,18-/m0/s1 |
| InChI Key | CAVFOKJYWHFGKR-WMZOPIPTSA-N |
| Canonical SMILES | C1CN(CC(C1CC(=O)O)CC2=NCCC3=C2C=CC(=C3)F)C(=O)C4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT14-502734 |