4-{[(2S)-2-{3-[4-(2-Methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
10833
Reference
4-{[(2S)-2-{3-[4-(2-Methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-[4-(2-Methoxyethoxy)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference10833
Other Names: NAT18-431431
Formula: C22H24N4O5
Spectral Data
4-{[(2S)-2-{3-[4-(2-Methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic 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 | 2 |
| No. of Spectra | 2035 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/9/2021 8:18:41 AM |
Identificators
| InChI | InChI=1S/C22H24N4O5/c1-29-11-12-30-17-8-9-23-18(13-17)20-24-21(31-25-20)19-3-2-10-26(19)14-15-4-6-16(7-5-15)22(27)28/h4-9,13,19H,2-3,10-12,14H2,1H3,(H,27,28)/t19-/m0/s1 |
| InChI Key | HLRFSIXRGRRFFO-IBGZPJMESA-N |
| Canonical SMILES | COCCOC1=CC(=NC=C1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-431431 |