93H
Summary
| Name: | 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol |
| Formula: | C17 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 287.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO3/c1-21-15-5-2-13(3-6-15)8-10-18-11-9-14-4-7-16(19)17(20)12-14/h2-7,12,18-20H,8-11H2,1H3 |
| InChIKey | InChI | 1.03 | YUWZXUMQIZRXEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O |
