| SpectraBase Spectrum ID |
BXNKE30yisy |
| Name |
1H-Indole-3-propanoic acid, .alpha.-cyano-.alpha.-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-oxopropyl]-5-(phenylmethoxy)-, ethyl ester, (.+-.)- |
| Alternate Name(s) |
5-(5-Benzyloxy-3-indolyl)-4-cyano-4-ethoxycarbonyl-1-(n-phthalimidyl)pentan-2-one
ethyl 2-{[5-(benzyloxy)-1H-indol-3-yl]methyl}-2-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxopentanoate |
| CAS Registry Number |
131920-01-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H27N3O6 |
| InChI |
InChI=1S/C32H27N3O6/c1-2-40-31(39)32(20-33,16-23(36)18-35-29(37)25-10-6-7-11-26(25)30(35)38)15-22-17-34-28-13-12-24(14-27(22)28)41-19-21-8-4-3-5-9-21/h3-14,17,34H,2,15-16,18-19H2,1H3 |
| InChIKey |
VBNNDKWVSIDGSV-UHFFFAOYSA-N |
| Molecular Weight |
549.583 g/mol |
| SMILES |
[nH]1c2c(c(c1)CC(CC(CN1C(c3ccccc3C1=O)=O)=O)(C(=O)OCC)C#N)cc(cc2)OCc1ccccc1 |
| SPLASH |
splash10-03dl-6900000000-bb736a219b976a0d7305 |
| Source of Spectrum |
F-46-2962-37 |
| Wiley ID |
1405590 |
![1H-Indole-3-propanoic acid, .alpha.-cyano-.alpha.-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-oxopropyl]-5-(phenylmethoxy)-, ethyl ester, (.+-.)-](/api/spectrum/BXNKE30yisy/structure.png?h=300&w=458 "1H-Indole-3-propanoic acid, .alpha.-cyano-.alpha.-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-oxopropyl]-5-(phenylmethoxy)-, ethyl ester, (.+-.)-")
