C2Y
Summary
| Name: | methyl 1H-indole-3-carboxylate |
| Formula: | C10 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1H-indole-3-carboxylate |
| OpenEye OEToolkits | 2.0.6 | methyl 1~{H}-indole-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12ncc(c1cccc2)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 |
| InChIKey | InChI | 1.03 | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c[nH]c2c1cccc2 |
