9F8
Summary
| Name: | 3-(3-methylindol-1-yl)propanoic acid |
| Formula: | C12 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 203.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3-methylindol-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | YJMBLVFDTDJZFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(CCC(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Cc1cn(CCC(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cn(c2c1cccc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cn(c2c1cccc2)CCC(=O)O |
