MYI
Summary
| Name: | (5-methoxy-1H-indol-3-yl)acetic acid |
| Synonyms: | 5-methoxy-indole acetate |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-(5-methoxy-1H-indol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc2[nH]cc(CC(O)=O)c2c1 |
| SMILES | CACTVS | 3.352 | COc1ccc2[nH]cc(CC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)c(c[nH]2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)c(c[nH]2)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | COCNDHOPIHDTHK-UHFFFAOYSA-N |
