D8B
Summary
| Name: | 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine |
| Formula: | C15 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 223.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3 |
| InChIKey | InChI | 1.03 | STDHINPODVHROK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C#Cc2cccc(C)n2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)C#Cc2cccc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(n1)C#Cc2cccc(c2)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(n1)C#Cc2cccc(c2)OC |
