W9R
Summary
| Name: | (1R,2S)-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid |
| Formula: | C14 H15 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 316.18 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | VSMUYYFJVFSVCA-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc2cc(Cl)cc(Cl)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCC[CH]1C(=O)Nc2cc(Cl)cc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CCCC[C@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)NC(=O)C2CCCCC2C(=O)O |
