UE0
Summary
| Name: | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid |
| Formula: | C15 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 261.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | FZGIXDHLUQHJKF-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O |
