2JI
Summary
| Name: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid |
| Formula: | C13 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 217.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(5-ethyl-2-methyl-1~{H}-indol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1c2cc(ccc2[NH]c1C)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | RCHPIUXYDSGZFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc2[nH]c(C)c(CC(O)=O)c2c1 |
| SMILES | CACTVS | 3.385 | CCc1ccc2[nH]c(C)c(CC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O |
