ML2
Summary
| Name: | N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| Formula: | C13 H15 I N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 358.175 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCc2c1cc(OC)ccc1nc2I)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 |
| SMILES | CACTVS | 3.341 | COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) |
| InChIKey | InChI | 1.03 | FJDDSMSDZHURBJ-UHFFFAOYSA-N |
