3VY
Summary
| Name: | (1-methyl-1H-indol-3-yl)acetic acid |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-methyl-1H-indol-3-yl)acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(1-methylindol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc2c1ccccc1n(c2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | NAIPEFIYIQFVFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CC(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Cn1cc(CC(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1cc(c2c1cccc2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1cc(c2c1cccc2)CC(=O)O |
