A1IX2
Summary
| Name: | 1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid |
| Formula: | C20 H28 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 360.447 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H28N2O4/c23-19(21-16-5-2-1-3-6-16)14-26-18-8-4-7-17(13-18)22-11-9-15(10-12-22)20(24)25/h4,7-8,13,15-16H,1-3,5-6,9-12,14H2,(H,21,23)(H,24,25) |
| InChIKey | InChI | 1.06 | RZWMVPTXUFEHRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1CCN(CC1)c2cccc(OCC(=O)NC3CCCCC3)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1CCN(CC1)c2cccc(OCC(=O)NC3CCCCC3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(=O)NC2CCCCC2)N3CCC(CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(=O)NC2CCCCC2)N3CCC(CC3)C(=O)O |
