A1EBS
Summary
| Name: | methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate |
| Formula: | C11 H15 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 247.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15F2NO3/c1-17-10(16)3-2-9(15)14-8-4-6-11(12,13)7-5-8/h2-3,8H,4-7H2,1H3,(H,14,15)/b3-2- |
| InChIKey | InChI | 1.06 | SXVXXBDPAMYDMT-IHWYPQMZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C/C(=O)NC1CCC(F)(F)CC1 |
| SMILES | CACTVS | 3.385 | COC(=O)C=CC(=O)NC1CCC(F)(F)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)/C=C\C(=O)NC1CCC(CC1)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C=CC(=O)NC1CCC(CC1)(F)F |
