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 |