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 |