A1L0P
Summary
| Name: | PSFL1191 |
| Formula: | C23 H25 N O4 |
| Formal charge: | 0 |
| Formula weight: | 379.449 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 | 1.06 | InChI=1S/C23H25NO4/c1-4-5-16-15-6-7-19(25-2)23(26-3)18(15)12-24-9-8-14-10-20-21(28-13-27-20)11-17(14)22(16)24/h4,6-7,10-11,16,22H,1,5,8-9,12-13H2,2-3H3/t16-,22+/m1/s1 |
| InChIKey | InChI | 1.06 | GDEMFXCLPBLWJW-ZHRRBRCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@@H](CC=C)[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |
| SMILES | CACTVS | 3.385 | COc1ccc2[CH](CC=C)[CH]3N(CCc4cc5OCOc5cc34)Cc2c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)CN3CCc4cc5c(cc4[C@@H]3[C@@H]2CC=C)OCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)CN3CCc4cc5c(cc4C3C2CC=C)OCO5 |
