ML1
Summary
| Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| Synonyms: | Melatonin |
| Formula: | C13 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| OpenEye OEToolkits | 1.7.6 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCc2c1cc(OC)ccc1nc2)C |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) |
| InChIKey | InChI | 1.03 | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCc1c[nH]c2c1cc(cc2)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCc1c[nH]c2c1cc(cc2)OC |
