| SpectraBase Spectrum ID |
9vJmSt6QdjE |
| Name |
2-{Benzyl-[2-(4-benzyloxy-but-2-ynyloxy)-ethyl]-carbamoyl}-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
642.294116312 u |
| Formula |
C37H42N2O8 |
| InChI |
InChI=1S/C37H42N2O8/c1-37(2,3)47-36(41)39-30(23-29-24-31(42-4)33(43-5)34(44-6)32(29)39)35(40)38(25-27-15-9-7-10-16-27)19-22-45-20-13-14-21-46-26-28-17-11-8-12-18-28/h7-12,15-18,23-24H,19-22,25-26H2,1-6H3 |
| InChIKey |
ZHACMLYGVUNUNU-UHFFFAOYSA-N |
| Molecular Weight |
642.749 g/mol |
| SMILES |
C=12N(C(=CC1C=C(C(=C2OC)OC)OC)C(N(CCOCC#CCOCC=1C=CC=CC1)CC=1C=CC=CC1)=O)C(=O)OC(C)(C)C |
![2-{Benzyl-[2-(4-benzyloxy-but-2-ynyloxy)-ethyl]-carbamoyl}-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester](/api/spectrum/9vJmSt6QdjE/structure.png?h=300&w=458 "2-{Benzyl-[2-(4-benzyloxy-but-2-ynyloxy)-ethyl]-carbamoyl}-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester")
