830
Summary
| Name: | (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonic acid |
| Formula: | C17 H20 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 349.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonic acid |
| OpenEye OEToolkits | 3.1.0.0 | [2-oxidanylidene-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)CC(=O)NCCCc1cc(Oc2ccccc2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22) |
| InChIKey | InChI | 1.06 | GNETVUVZFYJATO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O)O |
