KCZ
Summary
| Name: | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol |
| Formula: | C17 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 271.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | NXTJHSKVIAFFNX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CNCCc1ccc(O)c(O)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNCCc1ccc(c(c1)O)O)c2ccccc2 |
