WHJ
Summary
| Name: | CARMOTEROL |
| Formula: | C21 H24 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 368.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3NC(=O)C=Cc23)cc1 |
| SMILES | CACTVS | 3.352 | COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c3NC(=O)C=Cc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(Cc1ccc(cc1)OC)NCC(c2ccc(c3c2C=CC(=O)N3)O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | IHOXNOQMRZISPV-YJYMSZOUSA-N |
