| SpectraBase Spectrum ID |
I8Uy57psmH2 |
| Name |
[(3R,4as,8as)-1-Benzyldecahydroquinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.236207514 u |
| Formula |
C29H32N2O4 |
| InChI |
InChI=1S/C29H32N2O4/c1-20-15-27(32)31(28(20)33)26-14-8-6-12-24(26)29(34)35-19-22-16-23-11-5-7-13-25(23)30(18-22)17-21-9-3-2-4-10-21/h2-4,6,8-10,12,14-15,22-23,25H,5,7,11,13,16-19H2,1H3/t22-,23+,25+/m1/s1 |
| InChIKey |
PMNJTDAVDSJTIB-CUYJMHBOSA-N |
| Molecular Weight |
472.585 g/mol |
| SMILES |
C1(N(C(C(=C1)C)=O)C=1C(C(OC[C@]2(CN(CC=3C=CC=CC3)[C@@]3([C@](C2)(CCCC3)[H])[H])[H])=O)=CC=CC1)=O |
![[(3R,4as,8as)-1-Benzyldecahydroquinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate](/api/spectrum/I8Uy57psmH2/structure.png?h=300&w=458 "[(3R,4as,8as)-1-Benzyldecahydroquinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate")
