S3J
Summary
| Name: | 2-(4-phenylpiperidin-1-yl)ethanoic acid |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-phenylpiperidin-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16) |
| InChIKey | InChI | 1.03 | OAMRZYKCPQKDBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1CCC(CC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)CN1CCC(CC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2CCN(CC2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2CCN(CC2)CC(=O)O |
