4UE
Summary
| Name: | ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate |
| Formula: | C15 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 269.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate |
| OpenEye OEToolkits | 1.9.2 | ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc2cc(nc2cc1)C(OCC)=O)c3cncn3C |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | FOLNSFQIWULSJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1[nH]c2ccc(cc2c1)c3cncn3C |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1[nH]c2ccc(cc2c1)c3cncn3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C |
