GKN
Summary
| Name: | 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid |
| Formula: | C20 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 325.402 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(24)21-17-11-4-14(5-12-17)6-13-18(22)23/h4-5,7-12H,6,13H2,1-3H3,(H,21,24)(H,22,23) |
| InChIKey | InChI | 1.03 | IMRDLYFNSFXCTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O |
