4UM
Summary
| Name: | ethyl 5-carbamoyl-1H-indole-2-carboxylate |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 5-carbamoyl-1H-indole-2-carboxylate |
| OpenEye OEToolkits | 1.9.2 | ethyl 5-aminocarbonyl-1H-indole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(OCC)c1cc2c(n1)ccc(C(N)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15) |
| InChIKey | InChI | 1.03 | HNSDWMLOQWSYEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1[nH]c2ccc(cc2c1)C(N)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1[nH]c2ccc(cc2c1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N |
