{(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(5-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12557
Reference
{(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(5-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(5-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid
ID: Reference12557
Other Names: NAT14-502551
Formula: C23H32N2O4
Spectral Data
{(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(5-methoxy-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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2395 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/26/2023 1:19:34 PM |
Identificators
| InChI | InChI=1S/C23H32N2O4/c1-23(2,3)22(28)25-11-9-15(13-21(26)27)16(14-25)12-19-17-6-5-7-20(29-4)18(17)8-10-24-19/h5-7,15-16H,8-14H2,1-4H3,(H,26,27)/t15-,16-/m0/s1 |
| InChI Key | AUZMFIOZIGOVJV-HOTGVXAUSA-N |
| Canonical SMILES | CC(C)(C)C(=O)N1CCC(C(C1)CC2=NCCC3=C2C=CC=C3OC)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-502551 |