A1I9J
Summary
| Name: | ethyl 2-(1~{H}-indol-3-yl)ethanoate |
| Synonyms: | ethyl 2-(1H-indol-3-yl)acetate |
| Formula: | C12 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 203.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 2-(1~{H}-indol-3-yl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 |
| InChIKey | InChI | 1.06 | HUDBDWIQSIGUDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Cc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Cc1c[nH]c2c1cccc2 |
