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Summary
| Name: | Bridged tetracyclic indole |
| Formula: | C27 H27 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 468.511 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1 |
| InChIKey | InChI | 1.03 | XPULPVUOUDRKNB-SAEWTEAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(F)CN1[C@@H]2CCC[C@]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(/C=C/C(O)=O)cc5F |
| SMILES | CACTVS | 3.385 | CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(C=CC(O)=O)cc5F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CN1C2CCCC1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)C=CC(=O)O)F)F |
