![4-Butoxy-N-[(Z)-1-(2-furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide](/api/spectrum/HctMAyJdeXB/structure.png?h=300&w=458 "4-Butoxy-N-[(Z)-1-(2-furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide")
| SpectraBase Compound ID | JrL68YIPU8d |
|---|---|
| InChI | InChI=1S/C29H31N3O4/c1-3-4-17-35-22-13-11-21(12-14-22)28(33)32-27(19-23-8-7-18-36-23)29(34)30-16-15-24-20(2)31-26-10-6-5-9-25(24)26/h5-14,18-19,31H,3-4,15-17H2,1-2H3,(H,30,34)(H,32,33)/b27-19- |
| InChIKey | AYKPPCDKFRLNIK-DIBXZPPDSA-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 | HctMAyJdeXB |
|---|---|
| Name | 4-Butoxy-N-[(Z)-1-(2-furanyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]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/c1-3-4-17-35-22-13-11-21(12-14-22)28(33)32-27(19-23-8-7-18-36-23)29(34)30-16-15-24-20(2)31-26-10-6-5-9-25(24)26/h5-14,18-19,31H,3-4,15-17H2,1-2H3,(H,30,34)(H,32,33)/b27-19- |
| InChIKey | AYKPPCDKFRLNIK-DIBXZPPDSA-N |
| Molecular Weight | 485.584 g/mol |
| SMILES | CCCCOC=1C=CC(C(N\C(C(NCCC2=C(NC3=C2C=CC=C3)C)=O)=C\C=2OC=CC2)=O)=CC1 |