QN5
Summary
Name: | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid |
Synonyms: | 2-Methylindole-3-acetic acid |
Formula: | C11 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 189.211 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14) |
InChIKey | InChI | 1.03 | QJNNHJVSQUUHHE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1CC(O)=O |
SMILES | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)CC(=O)O |