| SpectraBase Spectrum ID |
6ylanHxPbkG |
| Name |
Trans-(1S,3R)-methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.147392509 u |
| Formula |
C20H20N2O3 |
| InChI |
InChI=1S/C20H20N2O3/c1-24-13-9-7-12(8-10-13)18-19-15(11-17(22-18)20(23)25-2)14-5-3-4-6-16(14)21-19/h3-10,17-18,21-22H,11H2,1-2H3/t17-,18+/m1/s1 |
| InChIKey |
YCCPHMBIMIJBPW-MSOLQXFVSA-N |
| Molecular Weight |
336.391 g/mol |
| SMILES |
C12=C(C=3C=CC=CC3N2)C[C@@](N[C@]1(C=1C=CC(=CC1)OC)[H])(C(=O)OC)[H] |
![trans-(1S,3R)-Methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/6ylanHxPbkG/structure.png?h=300&w=458 "trans-(1S,3R)-Methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")
