{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(2-methoxyphenyl)carbamoyl]-4-piperidinyl}acetic acid
12624
Reference
{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(2-methoxyphenyl)carbamoyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-[(2-methoxyphenyl)carbamoyl]piperidin-4-yl]acetic acid
ID: Reference12624
Other Names: NAT14-502000
Formula: C27H33N3O6
Spectral Data
{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(2-methoxyphenyl)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 | 2510 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/30/2023 11:53:57 AM |
Identificators
| InChI | InChI=1S/C27H33N3O6/c1-34-23-7-5-4-6-21(23)29-27(33)30-11-9-17(14-26(31)32)19(16-30)12-22-20-15-25(36-3)24(35-2)13-18(20)8-10-28-22/h4-7,13,15,17,19H,8-12,14,16H2,1-3H3,(H,29,33)(H,31,32)/t17-,19-/m0/s1 |
| InChI Key | IIFGJOFNRVCVPN-HKUYNNGSSA-N |
| Canonical SMILES | COC1=CC=CC=C1NC(=O)N2CCC(C(C2)CC3=NCCC4=CC(=C(C=C43)OC)OC)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-502000 |