RCV
Summary
| Name: | methyl [3-(aminomethyl)phenoxy]acetate |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl [3-(aminomethyl)phenoxy]acetate |
| OpenEye OEToolkits | 2.0.6 | methyl 2-[3-(aminomethyl)phenoxy]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(CN)cc1OCC(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3 |
| InChIKey | InChI | 1.03 | HUXMCFLTUUEWMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)COc1cccc(CN)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)COc1cccc(CN)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)COc1cccc(c1)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)COc1cccc(c1)CN |
