| SpectraBase Spectrum ID |
6aQiifyBADi |
| Name |
(syn-2,4)-4-(N-Acetylbenzylamino)-2-butoxy-6-phenyl-2,4-dihydro-2H-pyran-5-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.209992767 u |
| Formula |
C25H28N2O3 |
| InChI |
InChI=1S/C25H28N2O3/c1-3-4-15-29-24-16-23(27(19(2)28)18-20-11-7-5-8-12-20)22(17-26)25(30-24)21-13-9-6-10-14-21/h5-14,23-24H,3-4,15-16,18H2,1-2H3/t23-,24-/m1/s1 |
| InChIKey |
MQENKOQHIGXWQD-DNQXCXABSA-N |
| Molecular Weight |
404.510 g/mol |
| SMILES |
C=1([C@](N(C(=O)C)CC2=CC=CC=C2)(C[C@@](OC1C=1C=CC=CC1)(OCCCC)[H])[H])C#N |
