P1Q
Summary
| Name: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol |
| Formula: | C15 H22 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 299.793 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14?,15-/m0/s1 |
| InChIKey | InChI | 1.03 | TXSZONYEDFRDCI-NGKXAEKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(O)CN1C[C@H](OC[C@@H]1C)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COC(CN1CC(COC)O)c2cccc(c2)Cl |
