U0G
Summary
| Name: | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile |
| Formula: | C18 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 312.363 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxy-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc2c(cc(c(CCNCc1c(cccc1)O)c2)OC)C#N |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3 |
| InChIKey | InChI | 1.03 | VWEDZTZAXHMZIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C#N)c(OC)cc1CCNCc2ccccc2O |
| SMILES | CACTVS | 3.385 | COc1cc(C#N)c(OC)cc1CCNCc2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O |
