A1KBE
Summary
| Name: | 4-~{tert}-butyl-2-(3,4-dihydro-2~{H}-pyrrol-5-ylamino)phenol |
| Formula: | C14 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 232.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-~{tert}-butyl-2-(3,4-dihydro-2~{H}-pyrrol-5-ylamino)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O/c1-14(2,3)10-6-7-12(17)11(9-10)16-13-5-4-8-15-13/h6-7,9,17H,4-5,8H2,1-3H3,(H,15,16) |
| InChIKey | InChI | 1.06 | GRVASJSVFNBINC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(O)c(NC2=NCCC2)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(O)c(NC2=NCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(c(c1)NC2=NCCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(c(c1)NC2=NCCC2)O |
