E0D
Summary
| Name: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid |
| Formula: | C18 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 328.362 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O4/c1-12(21)15-10-20(16-7-3-2-6-14(15)16)11-17(22)19-8-4-5-13(9-19)18(23)24/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,23,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZYTILVPFRSHVDL-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cn(CC(=O)N2CCC[C@@H](C2)C(O)=O)c3ccccc13 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cn(CC(=O)N2CCC[CH](C2)C(O)=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCCC(C3)C(=O)O |
