EQ5
Summary
| Name: | 3-indol-1-ylpropanoic 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 | 2.0.6 | 3-indol-1-ylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | OSWNOVFZARRSKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCn1ccc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCn1ccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ccn2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ccn2CCC(=O)O |
