![N-[(Z)-1-(2-furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide](/api/spectrum/JuI0K4lNHs4/structure.png?h=300&w=458 "N-[(Z)-1-(2-furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide")
| SpectraBase Compound ID | GNRwmxUgfNm |
|---|---|
| InChI | InChI=1S/C29H31N3O4/c1-19(2)18-36-22-12-10-21(11-13-22)28(33)32-27(17-23-7-6-16-35-23)29(34)30-15-14-24-20(3)31-26-9-5-4-8-25(24)26/h4-13,16-17,19,31H,14-15,18H2,1-3H3,(H,30,34)(H,32,33)/b27-17- |
| InChIKey | CRXXBWGAYWANCG-PKAZHMFMSA-N |
| Mol Weight | 485.58 g/mol |
| Molecular Formula | C29H31N3O4 |
| Exact Mass | 485.231456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuI0K4lNHs4 |
|---|---|
| Name | N-[(Z)-1-(2-Furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.231456486 u |
| Formula | C29H31N3O4 |
| InChI | InChI=1S/C29H31N3O4/c1-19(2)18-36-22-12-10-21(11-13-22)28(33)32-27(17-23-7-6-16-35-23)29(34)30-15-14-24-20(3)31-26-9-5-4-8-25(24)26/h4-13,16-17,19,31H,14-15,18H2,1-3H3,(H,30,34)(H,32,33)/b27-17- |
| InChIKey | CRXXBWGAYWANCG-PKAZHMFMSA-N |
| Molecular Weight | 485.584 g/mol |
| SMILES | C=1C=CC2=C(NC(=C2CCNC(\C(=C\C=2OC=CC2)NC(C2=CC=C(OCC(C)C)C=C2)=O)=O)C)C1 |