RD9
Summary
| Name: | methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
| Formula: | C14 H14 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 301.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3 |
| InChIKey | InChI | 1.06 | ZCVAYWXZXDNCFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
