[(3R,4S)-3-[(6-Methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(phenylcarbamoyl)-4-piperidinyl]acetic acid
12556
Reference
[(3R,4S)-3-[(6-Methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(phenylcarbamoyl)-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6-Methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-(phenylcarbamoyl)piperidin-4-yl]acetic acid
ID: Reference12556
Other Names: NAT14-502124
Formula: C25H29N3O4
Spectral Data
[(3R,4S)-3-[(6-Methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(phenylcarbamoyl)-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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2610 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/26/2023 1:17:29 PM |
Identificators
| InChI | InChI=1S/C25H29N3O4/c1-32-21-7-8-22-18(13-21)9-11-26-23(22)14-19-16-28(12-10-17(19)15-24(29)30)25(31)27-20-5-3-2-4-6-20/h2-8,13,17,19H,9-12,14-16H2,1H3,(H,27,31)(H,29,30)/t17-,19-/m0/s1 |
| InChI Key | BMEJZKCXWCSZJO-HKUYNNGSSA-N |
| Canonical SMILES | COC1=CC2=C(C=C1)C(=NCC2)CC3CN(CCC3CC(=O)O)C(=O)NC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT14-502124 |