3B4
Summary
| Name: | 2-(cyclohexylamino)benzoic acid |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(cyclohexylamino)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(cyclohexylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2c(NC1CCCCC1)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1NC2CCCCC2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1NC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)NC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)NC2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16) |
| InChIKey | InChI | 1.03 | JSXMFCCPQQJLCR-UHFFFAOYSA-N |
