A1D7W
Summary
| Name: | dodecyl 1H-benzimidazole-5-carboxylate |
| Formula: | C20 H30 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.464 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | dodecyl 1~{H}-benzimidazole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)17-12-13-18-19(15-17)22-16-21-18/h12-13,15-16H,2-11,14H2,1H3,(H,21,22) |
| InChIKey | InChI | 1.06 | VXKKXAFRWVJMCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCOC(=O)c1ccc2[nH]cnc2c1 |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCOC(=O)c1ccc2[nH]cnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCOC(=O)c1ccc2c(c1)nc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCOC(=O)c1ccc2c(c1)nc[nH]2 |
