RCU
Summary
| Name: | ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate |
| Formula: | C15 H15 Cl F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 349.733 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15ClF3NO3/c1-2-23-13(22)6-5-12(21)20-8-7-9-11(20)4-3-10(16)14(9)15(17,18)19/h3-4H,2,5-8H2,1H3 |
| InChIKey | InChI | 1.06 | RYLCYWNNCGQOCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl |
