A1ES2
Summary
| Name: | 8-[3-[[(2~{S})-3-(1~{H}-indol-4-yloxy)-2-oxidanyl-propyl]amino]propyl]-8-azaspiro[4.5]decane-7,9-dione |
| Formula: | C23 H31 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 413.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[3-[[(2~{S})-3-(1~{H}-indol-4-yloxy)-2-oxidanyl-propyl]amino]propyl]-8-azaspiro[4.5]decane-7,9-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H31N3O4/c27-17(16-30-20-6-3-5-19-18(20)7-11-25-19)15-24-10-4-12-26-21(28)13-23(14-22(26)29)8-1-2-9-23/h3,5-7,11,17,24-25,27H,1-2,4,8-10,12-16H2/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | KVCDXJUCIQSGFP-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCCCN1C(=O)CC2(CCCC2)CC1=O)COc3cccc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | O[CH](CNCCCN1C(=O)CC2(CCCC2)CC1=O)COc3cccc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc[nH]2)c(c1)OC[C@H](CNCCCN3C(=O)CC4(CCCC4)CC3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc[nH]2)c(c1)OCC(CNCCCN3C(=O)CC4(CCCC4)CC3=O)O |
