QQW
Summary
| Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
| Formula: | C24 H28 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 473.949 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | DMTPPQGUBJBLMN-SPYBWZPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N4C[C@@H](C)OC[C@H]4CCO |
| SMILES | CACTVS | 3.385 | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(C(CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)NC(C)c4cccc(c4)Cl |
