ET0
Summary
| Name: | 3-(5-methoxy-1H-indol-3-yl)propanoic acid |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc2c1cc(OC)ccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2[nH]cc(CCC(O)=O)c2c1 |
| SMILES | CACTVS | 3.341 | COc1ccc2[nH]cc(CCC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)c(c[nH]2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)c(c[nH]2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | ZLSZCJIWILJKMR-UHFFFAOYSA-N |
