{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)carbamoyl]-4-piperidinyl}acetic acid
12539
Reference
{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)carbamoyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]acetic acid
ID: Reference12539
Other Names: NAT14-501992
Formula: C26H30FN3O5
Spectral Data
{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)carbamoyl]-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 | 2470 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/22/2023 12:59:30 PM |
Identificators
| InChI | InChI=1S/C26H30FN3O5/c1-34-23-12-17-7-9-28-22(21(17)14-24(23)35-2)11-18-15-30(10-8-16(18)13-25(31)32)26(33)29-20-5-3-19(27)4-6-20/h3-6,12,14,16,18H,7-11,13,15H2,1-2H3,(H,29,33)(H,31,32)/t16-,18-/m0/s1 |
| InChI Key | PQOKORVTBLIXDA-WMZOPIPTSA-N |
| Canonical SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3CN(CCC3CC(=O)O)C(=O)NC4=CC=C(C=C4)F)OC |
| CAS | |
| Splash | |
| Other Names | NAT14-501992 |