2TN
Summary
| Name: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE |
| Synonyms: | ATENOLOL |
| Formula: | C14 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide |
| OpenEye OEToolkits | 1.5.0 | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)NC[CH](O)COc1ccc(CC(N)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)NCC(COc1ccc(cc1)CC(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NCC(COc1ccc(cc1)CC(=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | METKIMKYRPQLGS-GFCCVEGCSA-N |
