A1EVP
Summary
| Name: | 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid |
| Synonyms: | SSTR5 antagonist 1 |
| Formula: | C28 H34 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 511.585 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H34FN3O5/c1-3-35-23-13-19(14-24(36-4-2)26(23)20-5-7-22(29)8-6-20)16-31-17-28(18-31)15-25(30-37-28)32-11-9-21(10-12-32)27(33)34/h5-8,13-14,21H,3-4,9-12,15-18H2,1-2H3,(H,33,34) |
| InChIKey | InChI | 1.06 | UQRAIIGEZLINAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(CN2CC3(C2)CC(=NO3)N4CCC(CC4)C(O)=O)cc(OCC)c1c5ccc(F)cc5 |
| SMILES | CACTVS | 3.385 | CCOc1cc(CN2CC3(C2)CC(=NO3)N4CCC(CC4)C(O)=O)cc(OCC)c1c5ccc(F)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(cc(c1c2ccc(cc2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(cc(c1c2ccc(cc2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O |
